 Entering Gaussian System, Link 0=g16
 Initial command:
 /N/soft/cle6/gaussian/g16/g16/l1.exe "/N/dc2/scratch/virgandh/Gau-28362.inp" -scrdir="/N/dc2/scratch/virgandh/"
 Entering Link 1 = /N/soft/cle6/gaussian/g16/g16/l1.exe PID=     28412.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
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 This is part of the Gaussian(R) 16 program.  It is based on
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 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
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 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
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 Carnegie Mellon University). Gaussian is a federally registered
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 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Feb-2020 
 ******************************************
 %NProcShared=24
 Will use up to   24 processors via shared memory.
 ---------------------
 #n B3LYP/6-31G(d) Opt
 ---------------------
 1/18=20,19=15,26=3,38=1/1,3;
 2/9=110,12=2,17=6,18=5,40=1/2;
 3/5=1,6=6,7=1,11=2,25=1,30=1,71=1,74=-5/1,2,3;
 4//1;
 5/5=2,38=5/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7//1,2,3,16;
 1/18=20,19=15,26=3/3(2);
 2/9=110/2;
 99//99;
 2/9=110/2;
 3/5=1,6=6,7=1,11=2,25=1,30=1,71=1,74=-5/1,2,3;
 4/5=5,16=3,69=1/1;
 5/5=2,38=5/2;
 7//1,2,3,16;
 1/18=20,19=15,26=3/3(-5);
 2/9=110/2;
 6/7=2,8=2,9=2,10=2,19=2,28=1/1;
 99/9=1/99;
 --
 NO
 --
 Symbolic Z-matrix:
 Charge =  1 Multiplicity = 1
 N                    -7.92109   0.04193   0. 
 O                    -6.16827   0.20964   0. 
 
 Add virtual bond connecting atoms O2         and N1         Dist= 3.33D+00.

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.7608         estimate D2E/DX2                !
 --------------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06 EigMax=2.50D+02 EigMin=1.00D-04
 Number of steps in this run=     20 maximum allowed number of steps=    100.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0       -7.921090    0.041930    0.000000
      2          8           0       -6.168270    0.209640    0.000000
 ---------------------------------------------------------------------
 Stoichiometry    NO(1+)
 Framework group  C*V[C*(NO)]
 Deg. of freedom     1
 Full point group                 C*V     NOp   4
 Largest Abelian subgroup         C2V     NOp   4
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0       -0.000000   -0.000000   -0.939107
      2          8           0        0.000000    0.000000    0.821718
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000          21.8309003          21.8309003
 Standard basis: 6-31G(d) (6D, 7F)
 There are    16 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     2 symmetry adapted cartesian basis functions of A2  symmetry.
 There are     6 symmetry adapted cartesian basis functions of B1  symmetry.
 There are     6 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    16 symmetry adapted basis functions of A1  symmetry.
 There are     2 symmetry adapted basis functions of A2  symmetry.
 There are     6 symmetry adapted basis functions of B1  symmetry.
 There are     6 symmetry adapted basis functions of B2  symmetry.
    30 basis functions,    56 primitive gaussians,    30 cartesian basis functions
     7 alpha electrons        7 beta electrons
       nuclear repulsion energy        16.8295680795 Hartrees.
 NAtoms=    2 NActive=    2 NUniq=    2 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=    30 RedAO= T EigKep=  2.84D-02  NBF=    16     2     6     6
 NBsUse=    30 1.00D-06 EigRej= -1.00D+00 NBFU=    16     2     6     6
 ExpMin= 2.12D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Initial guess orbital symmetries:
       Occupied  (SG) (SG) (SG) (SG) (SG) (PI) (PI)
       Virtual   (PI) (PI) (SG) (SG) (PI) (PI) (SG) (PI) (PI) (SG)
                 (SG) (PI) (PI) (SG) (DLTA) (DLTA) (DLTA) (DLTA)
                 (PI) (PI) (SG) (SG) (SG)
 The electronic state of the initial guess is 1-SG.
 Keep R1 ints in memory in symmetry-blocked form, NReq=20805545.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 EnCoef did   100 forward-backward iterations
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -129.179379506     A.U. after   15 cycles
            NFock= 15  Conv=0.91D-09     -V/T= 2.0159

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (SG) (SG) (SG) (SG) (SG) (PI) (PI)
       Virtual   (PI) (PI) (SG) (PI) (PI) (SG) (SG) (PI) (PI) (SG)
                 (SG) (PI) (PI) (SG) (DLTA) (DLTA) (DLTA) (DLTA)
                 (PI) (PI) (SG) (SG) (SG)
 The electronic state is 1-SG.
 Alpha  occ. eigenvalues --  -19.76035 -15.04814  -1.38398  -1.17884  -0.82391
 Alpha  occ. eigenvalues --   -0.76956  -0.76956
 Alpha virt. eigenvalues --   -0.63622  -0.63622  -0.52559   0.27392   0.27392
 Alpha virt. eigenvalues --    0.28431   0.32907   0.52876   0.52876   0.53256
 Alpha virt. eigenvalues --    0.77357   1.12039   1.12039   1.14610   1.23466
 Alpha virt. eigenvalues --    1.23467   1.38564   1.38564   1.59598   1.59598
 Alpha virt. eigenvalues --    2.21104   2.73856   3.02162
          Condensed to atoms (all electrons):
               1          2
     1  N    6.067324   0.231594
     2  O    0.231594   7.469488
 Mulliken charges:
               1
     1  N    0.701082
     2  O    0.298918
 Sum of Mulliken charges =   1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  N    0.701082
     2  O    0.298918
 Electronic spatial extent (au):  <R**2>=             57.3560
 Charge=              1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0000    Y=              0.0000    Z=             -1.6573  Tot=              1.6573
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.7700   YY=             -8.7700   ZZ=             -4.0076
   XY=             -0.0000   XZ=             -0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -1.5875   YY=             -1.5875   ZZ=              3.1749
   XY=             -0.0000   XZ=             -0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=             -0.0000  ZZZ=              0.1131  XYY=              0.0000
  XXY=             -0.0000  XXZ=              0.1712  XZZ=              0.0000  YZZ=             -0.0000
  YYZ=              0.1712  XYZ=             -0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=             -6.1401 YYYY=             -6.1401 ZZZZ=            -41.3486 XXXY=             -0.0000
 XXXZ=             -0.0000 YYYX=             -0.0000 YYYZ=             -0.0000 ZZZX=             -0.0000
 ZZZY=             -0.0000 XXYY=             -2.0467 XXZZ=             -8.4299 YYZZ=             -8.4299
 XXYZ=             -0.0000 YYXZ=             -0.0000 ZZXY=             -0.0000
 N-N= 1.682956807948D+01 E-N=-3.312321964743D+02  KE= 1.271531806346D+02
 Symmetry A1   KE= 1.180027972610D+02
 Symmetry A2   KE= 3.791387501573D-32
 Symmetry B1   KE= 4.575191686760D+00
 Symmetry B2   KE= 4.575191686760D+00
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        7           0.235124467    0.022496733   -0.000000000
      2        8          -0.235124467   -0.022496733    0.000000000
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.235124467 RMS     0.136369129

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.236198260 RMS     0.236198260
 Search for a local minimum.
 Step number   1 out of a maximum of   20
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Second derivative matrix not updated -- first step.
 The second derivative matrix:
                          R1
           R1           0.15377
 ITU=  0
     Eigenvalues ---    0.15377
 RFO step:  Lambda=-1.71512494D-01 EMin= 1.53767702D-01
 Linear search not attempted -- first point.
 Maximum step size (   0.300) exceeded in Quadratic search.
    -- Step size scaled by   0.413
 Iteration  1 RMS(Cart)=  0.14142136 RMS(Int)=  0.10000000
 Iteration  2 RMS(Cart)=  0.07071068 RMS(Int)=  0.00000000
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 ClnCor:  largest displacement from symmetrization is 1.78D-15 for atom     2.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        3.32748  -0.23620   0.00000  -0.30000  -0.30000   3.02748
         Item               Value     Threshold  Converged?
 Maximum Force            0.236198     0.000450     NO 
 RMS     Force            0.236198     0.000300     NO 
 Maximum Displacement     0.149318     0.001800     NO 
 RMS     Displacement     0.212132     0.001200     NO 
 Predicted change in Energy=-6.393993D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0       -7.842074    0.049490    0.000000
      2          8           0       -6.247286    0.202080   -0.000000
 ---------------------------------------------------------------------
 Stoichiometry    NO(1+)
 Framework group  C*V[C*(NO)]
 Deg. of freedom     1
 Full point group                 C*V     NOp   4
 Largest Abelian subgroup         C2V     NOp   4
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0        0.000000   -0.000000   -0.854438
      2          8           0       -0.000000    0.000000    0.747634
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000          26.3718178          26.3718178
 Standard basis: 6-31G(d) (6D, 7F)
 There are    16 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     2 symmetry adapted cartesian basis functions of A2  symmetry.
 There are     6 symmetry adapted cartesian basis functions of B1  symmetry.
 There are     6 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    16 symmetry adapted basis functions of A1  symmetry.
 There are     2 symmetry adapted basis functions of A2  symmetry.
 There are     6 symmetry adapted basis functions of B1  symmetry.
 There are     6 symmetry adapted basis functions of B2  symmetry.
    30 basis functions,    56 primitive gaussians,    30 cartesian basis functions
     7 alpha electrons        7 beta electrons
       nuclear repulsion energy        18.4972506064 Hartrees.
 NAtoms=    2 NActive=    2 NUniq=    2 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=    30 RedAO= T EigKep=  2.11D-02  NBF=    16     2     6     6
 NBsUse=    30 1.00D-06 EigRej= -1.00D+00 NBFU=    16     2     6     6
 Initial guess from the checkpoint file:  "/N/dc2/scratch/virgandh/Gau-28412.chk"
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (SG) (SG) (SG) (SG) (SG) (PI) (PI)
       Virtual   (PI) (PI) (SG) (PI) (PI) (SG) (SG) (PI) (PI) (SG)
                 (SG) (PI) (PI) (SG) (DLTA) (DLTA) (DLTA) (DLTA)
                 (PI) (PI) (SG) (SG) (SG)
 ExpMin= 2.12D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Keep R1 ints in memory in symmetry-blocked form, NReq=20805545.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -129.257355723     A.U. after   12 cycles
            NFock= 12  Conv=0.82D-08     -V/T= 2.0163
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        7           0.282263237    0.027006976    0.000000000
      2        8          -0.282263237   -0.027006976   -0.000000000
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.282263237 RMS     0.163709002

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.283552309 RMS     0.283552309
 Search for a local minimum.
 Step number   2 out of a maximum of   20
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    1    2
 DE= -7.80D-02 DEPred=-6.39D-02 R= 1.22D+00
 TightC=F SS=  1.41D+00  RLast= 3.00D-01 DXNew= 5.0454D-01 9.0000D-01
 Trust test= 1.22D+00 RLast= 3.00D-01 DXMaxT set to 5.05D-01
 The second derivative matrix:
                          R1
           R1          -0.15785
 ITU=  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---   -0.15785
 RFO step:  Lambda=-3.73254550D-01 EMin=-1.57846830D-01
 Skip linear search -- no minimum in search direction.
 Maximum step size (   0.505) exceeded in Quadratic search.
    -- Step size scaled by   0.505
 Iteration  1 RMS(Cart)=  0.14142136 RMS(Int)=  0.30453785
 Iteration  2 RMS(Cart)=  0.14142136 RMS(Int)=  0.10453785
 Iteration  3 RMS(Cart)=  0.07391942 RMS(Int)=  0.00000000
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 ClnCor:  largest displacement from symmetrization is 1.67D-16 for atom     2.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        3.02748  -0.28355   0.00000  -0.50454  -0.50454   2.52294
         Item               Value     Threshold  Converged?
 Maximum Force            0.283552     0.000450     NO 
 RMS     Force            0.283552     0.000300     NO 
 Maximum Displacement     0.251122     0.001800     NO 
 RMS     Displacement     0.356762     0.001200     NO 
 Predicted change in Energy=-1.631535D-01
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0       -7.709186    0.062205   -0.000000
      2          8           0       -6.380174    0.189365    0.000000
 ---------------------------------------------------------------------
 Stoichiometry    NO(1+)
 Framework group  C*V[C*(NO)]
 Deg. of freedom     1
 Full point group                 C*V     NOp   4
 Largest Abelian subgroup         C2V     NOp   4
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0       -0.000000    0.000000   -0.712044
      2          8           0        0.000000   -0.000000    0.623038
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000          37.9741640          37.9741640
 Standard basis: 6-31G(d) (6D, 7F)
 There are    16 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     2 symmetry adapted cartesian basis functions of A2  symmetry.
 There are     6 symmetry adapted cartesian basis functions of B1  symmetry.
 There are     6 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    16 symmetry adapted basis functions of A1  symmetry.
 There are     2 symmetry adapted basis functions of A2  symmetry.
 There are     6 symmetry adapted basis functions of B1  symmetry.
 There are     6 symmetry adapted basis functions of B2  symmetry.
    30 basis functions,    56 primitive gaussians,    30 cartesian basis functions
     7 alpha electrons        7 beta electrons
       nuclear repulsion energy        22.1963343469 Hartrees.
 NAtoms=    2 NActive=    2 NUniq=    2 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=    30 RedAO= T EigKep=  1.12D-02  NBF=    16     2     6     6
 NBsUse=    30 1.00D-06 EigRej= -1.00D+00 NBFU=    16     2     6     6
 Initial guess from the checkpoint file:  "/N/dc2/scratch/virgandh/Gau-28412.chk"
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (SG) (SG) (SG) (SG) (SG) (PI) (PI)
       Virtual   (PI) (PI) (SG) (PI) (PI) (SG) (SG) (SG) (PI) (PI)
                 (SG) (PI) (PI) (DLTA) (DLTA) (SG) (DLTA) (DLTA)
                 (PI) (PI) (SG) (SG) (SG)
 ExpMin= 2.12D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Keep R1 ints in memory in symmetry-blocked form, NReq=20805545.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -129.415915755     A.U. after   12 cycles
            NFock= 12  Conv=0.17D-08     -V/T= 2.0159
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        7           0.326486109    0.031238225   -0.000000000
      2        8          -0.326486109   -0.031238225    0.000000000
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.326486109 RMS     0.189357691

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.327977142 RMS     0.327977142
 Search for a local minimum.
 Step number   3 out of a maximum of   20
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    2    3
 DE= -1.59D-01 DEPred=-1.63D-01 R= 9.72D-01
 TightC=F SS=  1.41D+00  RLast= 5.05D-01 DXNew= 8.4853D-01 1.5136D+00
 Trust test= 9.72D-01 RLast= 5.05D-01 DXMaxT set to 8.49D-01
 The second derivative matrix:
                          R1
           R1          -0.08805
 ITU=  1  1
 Use linear search instead of GDIIS.
     Eigenvalues ---   -0.08805
 RFO step:  Lambda=-3.74944041D-01 EMin=-8.80505474D-02
 Skip linear search -- no minimum in search direction.
 Maximum step size (   0.849) exceeded in Quadratic search.
    -- Step size scaled by   0.849
 Iteration  1 RMS(Cart)=  0.14142136 RMS(Int)=  0.64852814
 Iteration  2 RMS(Cart)=  0.14142136 RMS(Int)=  0.44852814
 Iteration  3 RMS(Cart)=  0.14142136 RMS(Int)=  0.24852814
 Iteration  4 RMS(Cart)=  0.14142136 RMS(Int)=  0.04852814
 Iteration  5 RMS(Cart)=  0.03431458 RMS(Int)=  0.00000000
 Iteration  6 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 ClnCor:  largest displacement from symmetrization is 2.78D-16 for atom     1.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.52294  -0.32798   0.00000  -0.84853  -0.84853   1.67441
         Item               Value     Threshold  Converged?
 Maximum Force            0.327977     0.000450     NO 
 RMS     Force            0.327977     0.000300     NO 
 Maximum Displacement     0.422335     0.001800     NO 
 RMS     Displacement     0.600000     0.001200     NO 
 Predicted change in Energy=-3.099960D-01
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0       -7.485696    0.083589   -0.000000
      2          8           0       -6.603664    0.167981    0.000000
 ---------------------------------------------------------------------
 Stoichiometry    NO(1+)
 Framework group  C*V[C*(NO)]
 Deg. of freedom     1
 Full point group                 C*V     NOp   4
 Largest Abelian subgroup         C2V     NOp   4
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0       -0.000000    0.000000   -0.472565
      2          8           0        0.000000   -0.000000    0.413495
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000          86.2139686          86.2139686
 Standard basis: 6-31G(d) (6D, 7F)
 There are    16 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     2 symmetry adapted cartesian basis functions of A2  symmetry.
 There are     6 symmetry adapted cartesian basis functions of B1  symmetry.
 There are     6 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    16 symmetry adapted basis functions of A1  symmetry.
 There are     2 symmetry adapted basis functions of A2  symmetry.
 There are     6 symmetry adapted basis functions of B1  symmetry.
 There are     6 symmetry adapted basis functions of B2  symmetry.
    30 basis functions,    56 primitive gaussians,    30 cartesian basis functions
     7 alpha electrons        7 beta electrons
       nuclear repulsion energy        33.4445969065 Hartrees.
 NAtoms=    2 NActive=    2 NUniq=    2 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=    30 RedAO= T EigKep=  2.44D-03  NBF=    16     2     6     6
 NBsUse=    30 1.00D-06 EigRej= -1.00D+00 NBFU=    16     2     6     6
 Initial guess from the checkpoint file:  "/N/dc2/scratch/virgandh/Gau-28412.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (SG) (SG) (SG) (SG) (SG) (PI) (PI)
       Virtual   (PI) (PI) (SG) (SG) (PI) (PI) (SG) (SG) (PI) (PI)
                 (SG) (PI) (PI) (DLTA) (DLTA) (DLTA) (DLTA) (SG)
                 (PI) (PI) (SG) (SG) (SG)
 ExpMin= 2.12D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Keep R1 ints in memory in symmetry-blocked form, NReq=20805545.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -129.349187334     A.U. after   10 cycles
            NFock= 10  Conv=0.66D-08     -V/T= 1.9951
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        7          -1.291580754   -0.123578581   -0.000000000
      2        8           1.291580754    0.123578581    0.000000000
 -------------------------------------------------------------------
 Cartesian Forces:  Max     1.291580754 RMS     0.749100018

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     1.297479291 RMS     1.297479291
 Search for a local minimum.
 Step number   4 out of a maximum of   20
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    4    3
 DE=  6.67D-02 DEPred=-3.10D-01 R=-2.15D-01
 Trust test=-2.15D-01 RLast= 8.49D-01 DXMaxT set to 4.24D-01
 The second derivative matrix:
                          R1
           R1           1.91562
 ITU= -1  1
 Use linear search instead of GDIIS.
     Eigenvalues ---    1.91562
 RFO step:  Lambda= 0.00000000D+00 EMin= 1.91561878D+00
 Quartic linear search produced a step of -0.41373.
 Iteration  1 RMS(Cart)=  0.14142136 RMS(Int)=  0.15106050
 Iteration  2 RMS(Cart)=  0.10681590 RMS(Int)=  0.00000000
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 ClnCor:  largest displacement from symmetrization is 1.67D-16 for atom     2.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        1.67441   1.29748   0.35106  -0.00000   0.35106   2.02547
         Item               Value     Threshold  Converged?
 Maximum Force            1.297479     0.000450     NO 
 RMS     Force            1.297479     0.000300     NO 
 Maximum Displacement     0.174732     0.001800     NO 
 RMS     Displacement     0.248237     0.001200     NO 
 Predicted change in Energy=-2.707215D-01
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0       -7.578160    0.074742    0.000000
      2          8           0       -6.511200    0.176828   -0.000000
 ---------------------------------------------------------------------
 Stoichiometry    NO(1+)
 Framework group  C*V[C*(NO)]
 Deg. of freedom     1
 Full point group                 C*V     NOp   4
 Largest Abelian subgroup         C2V     NOp   4
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0       -0.000000    0.000000   -0.571644
      2          8           0        0.000000   -0.000000    0.500189
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000          58.9182039          58.9182039
 Standard basis: 6-31G(d) (6D, 7F)
 There are    16 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     2 symmetry adapted cartesian basis functions of A2  symmetry.
 There are     6 symmetry adapted cartesian basis functions of B1  symmetry.
 There are     6 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    16 symmetry adapted basis functions of A1  symmetry.
 There are     2 symmetry adapted basis functions of A2  symmetry.
 There are     6 symmetry adapted basis functions of B1  symmetry.
 There are     6 symmetry adapted basis functions of B2  symmetry.
    30 basis functions,    56 primitive gaussians,    30 cartesian basis functions
     7 alpha electrons        7 beta electrons
       nuclear repulsion energy        27.6478838929 Hartrees.
 NAtoms=    2 NActive=    2 NUniq=    2 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=    30 RedAO= T EigKep=  5.00D-03  NBF=    16     2     6     6
 NBsUse=    30 1.00D-06 EigRej= -1.00D+00 NBFU=    16     2     6     6
 Lowest energy guess from the checkpoint file:  "/N/dc2/scratch/virgandh/Gau-28412.chk"
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (SG) (SG) (PI) (PI) (SG) (SG) (SG)
       Virtual   (SG) (SG) (PI) (PI) (SG) (SG) (SG) (?A) (?A) (?A)
                 (DLTA) (DLTA) (?A) (?A) (?A) (DLTA) (DLTA) (PI)
                 (PI) (?A) (?A) (?A) (?A)
 Keep R1 ints in memory in symmetry-blocked form, NReq=20805545.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 An orbital has undefined symmetry, so N**3 symmetry is turned off.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -129.529785019     A.U. after    9 cycles
            NFock=  9  Conv=0.31D-08     -V/T= 2.0100
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        7          -0.003716290   -0.000355575   -0.000000000
      2        8           0.003716290    0.000355575    0.000000000
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003716290 RMS     0.002155400

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.003733262 RMS     0.003733262
 Search for a local minimum.
 Step number   5 out of a maximum of   20
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    4    5
 DE= -1.81D-01 DEPred=-2.71D-01 R= 6.67D-01
 TightC=F SS=  1.41D+00  RLast= 3.51D-01 DXNew= 7.1352D-01 1.0532D+00
 Trust test= 6.67D-01 RLast= 3.51D-01 DXMaxT set to 7.14D-01
 The second derivative matrix:
                          R1
           R1           3.68525
 ITU=  1 -1
 Use linear search instead of GDIIS.
     Eigenvalues ---    3.68525
 RFO step:  Lambda= 0.00000000D+00 EMin= 3.68525094D+00
 Quartic linear search produced a step of  0.00664.
 Iteration  1 RMS(Cart)=  0.00164860 RMS(Int)=  0.00000000
 Iteration  2 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 ClnCor:  largest displacement from symmetrization is 1.67D-16 for atom     2.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.02547   0.00373   0.00233  -0.00000   0.00233   2.02780
         Item               Value     Threshold  Converged?
 Maximum Force            0.003733     0.000450     NO 
 RMS     Force            0.003733     0.000300     NO 
 Maximum Displacement     0.001160     0.001800     YES
 RMS     Displacement     0.001649     0.001200     NO 
 Predicted change in Energy=-1.312100D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0       -7.578774    0.074683    0.000000
      2          8           0       -6.510586    0.176887   -0.000000
 ---------------------------------------------------------------------
 Stoichiometry    NO(1+)
 Framework group  C*V[C*(NO)]
 Deg. of freedom     1
 Full point group                 C*V     NOp   4
 Largest Abelian subgroup         C2V     NOp   4
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0       -0.000000    0.000000   -0.572302
      2          8           0        0.000000   -0.000000    0.500765
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000          58.7827988          58.7827988
 Standard basis: 6-31G(d) (6D, 7F)
 There are    16 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     2 symmetry adapted cartesian basis functions of A2  symmetry.
 There are     6 symmetry adapted cartesian basis functions of B1  symmetry.
 There are     6 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    16 symmetry adapted basis functions of A1  symmetry.
 There are     2 symmetry adapted basis functions of A2  symmetry.
 There are     6 symmetry adapted basis functions of B1  symmetry.
 There are     6 symmetry adapted basis functions of B2  symmetry.
    30 basis functions,    56 primitive gaussians,    30 cartesian basis functions
     7 alpha electrons        7 beta electrons
       nuclear repulsion energy        27.6160955968 Hartrees.
 NAtoms=    2 NActive=    2 NUniq=    2 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=    30 RedAO= T EigKep=  5.02D-03  NBF=    16     2     6     6
 NBsUse=    30 1.00D-06 EigRej= -1.00D+00 NBFU=    16     2     6     6
 Initial guess from the checkpoint file:  "/N/dc2/scratch/virgandh/Gau-28412.chk"
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (SG) (SG) (SG) (SG) (PI) (PI) (SG)
       Virtual   (PI) (PI) (SG) (PI) (PI) (SG) (SG) (SG) (PI) (PI)
                 (DLTA) (DLTA) (SG) (PI) (PI) (DLTA) (DLTA) (SG)
                 (PI) (PI) (SG) (SG) (SG)
 Keep R1 ints in memory in symmetry-blocked form, NReq=20805545.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 An orbital has undefined symmetry, so N**3 symmetry is turned off.
 SCF Done:  E(RB3LYP) =  -129.529788976     A.U. after    6 cycles
            NFock=  6  Conv=0.20D-08     -V/T= 2.0101
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        7           0.000330952    0.000031666   -0.000000000
      2        8          -0.000330952   -0.000031666    0.000000000
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000330952 RMS     0.000191948

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000332463 RMS     0.000332463
 Search for a local minimum.
 Step number   6 out of a maximum of   20
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points    5    6
 DE= -3.96D-06 DEPred=-1.31D-06 R= 3.02D+00
 TightC=F SS=  1.41D+00  RLast= 2.33D-03 DXNew= 1.2000D+00 6.9944D-03
 Trust test= 3.02D+00 RLast= 2.33D-03 DXMaxT set to 7.14D-01
 The second derivative matrix:
                          R1
           R1           1.74384
 ITU=  1  1
 Use linear search instead of GDIIS.
     Eigenvalues ---    1.74384
 RFO step:  Lambda= 0.00000000D+00 EMin= 1.74384139D+00
 Quartic linear search produced a step of -0.08213.
 Iteration  1 RMS(Cart)=  0.00013541 RMS(Int)=  0.00000000
 Iteration  2 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 ClnCor:  largest displacement from symmetrization is 1.11D-16 for atom     2.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.02780  -0.00033  -0.00019  -0.00000  -0.00019   2.02761
         Item               Value     Threshold  Converged?
 Maximum Force            0.000332     0.000450     YES
 RMS     Force            0.000332     0.000300     NO 
 Maximum Displacement     0.000095     0.001800     YES
 RMS     Displacement     0.000135     0.001200     YES
 Predicted change in Energy=-3.169146D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0       -7.578724    0.074688    0.000000
      2          8           0       -6.510636    0.176882   -0.000000
 ---------------------------------------------------------------------
 Stoichiometry    NO(1+)
 Framework group  C*V[C*(NO)]
 Deg. of freedom     1
 Full point group                 C*V     NOp   4
 Largest Abelian subgroup         C2V     NOp   4
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0       -0.000000    0.000000   -0.572248
      2          8           0        0.000000   -0.000000    0.500717
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000          58.7939026          58.7939026
 Standard basis: 6-31G(d) (6D, 7F)
 There are    16 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     2 symmetry adapted cartesian basis functions of A2  symmetry.
 There are     6 symmetry adapted cartesian basis functions of B1  symmetry.
 There are     6 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    16 symmetry adapted basis functions of A1  symmetry.
 There are     2 symmetry adapted basis functions of A2  symmetry.
 There are     6 symmetry adapted basis functions of B1  symmetry.
 There are     6 symmetry adapted basis functions of B2  symmetry.
    30 basis functions,    56 primitive gaussians,    30 cartesian basis functions
     7 alpha electrons        7 beta electrons
       nuclear repulsion energy        27.6187037388 Hartrees.
 NAtoms=    2 NActive=    2 NUniq=    2 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=    30 RedAO= T EigKep=  5.02D-03  NBF=    16     2     6     6
 NBsUse=    30 1.00D-06 EigRej= -1.00D+00 NBFU=    16     2     6     6
 Initial guess from the checkpoint file:  "/N/dc2/scratch/virgandh/Gau-28412.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (SG) (SG) (SG) (SG) (PI) (PI) (SG)
       Virtual   (PI) (PI) (SG) (PI) (PI) (SG) (SG) (SG) (PI) (PI)
                 (DLTA) (DLTA) (SG) (PI) (PI) (DLTA) (DLTA) (SG)
                 (PI) (PI) (SG) (SG) (SG)
 Keep R1 ints in memory in symmetry-blocked form, NReq=20805545.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 An orbital has undefined symmetry, so N**3 symmetry is turned off.
 SCF Done:  E(RB3LYP) =  -129.529789008     A.U. after    5 cycles
            NFock=  5  Conv=0.28D-08     -V/T= 2.0101
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        7          -0.000000005   -0.000000000   -0.000000000
      2        8           0.000000005    0.000000000    0.000000000
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000000005 RMS     0.000000003

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000000005 RMS     0.000000005
 Search for a local minimum.
 Step number   7 out of a maximum of   20
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points    7
 DE= -3.18D-08 DEPred=-3.17D-08 R= 1.00D+00
 Trust test= 1.00D+00 RLast= 1.91D-04 DXMaxT set to 7.14D-01
 The second derivative matrix:
                          R1
           R1           1.74384
 ITU=  0  1
     Eigenvalues ---    1.74384
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:     7    6
 RFO step:  Lambda= 0.00000000D+00.
 Use linear search instead of GDIIS.
 RFO step:  Lambda= 0.00000000D+00 EMin= 1.74384139D+00
 Quartic linear search produced a step of -0.00001.
 Iteration  1 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 ClnCor:  largest displacement from symmetrization is 1.79D-15 for atom     1.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.02761   0.00000   0.00000   0.00000   0.00000   2.02761
         Item               Value     Threshold  Converged?
 Maximum Force            0.000000     0.000450     YES
 RMS     Force            0.000000     0.000300     YES
 Maximum Displacement     0.000000     0.001800     YES
 RMS     Displacement     0.000000     0.001200     YES
 Predicted change in Energy=-6.109830D-18
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.073          -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0       -7.578724    0.074688    0.000000
      2          8           0       -6.510636    0.176882   -0.000000
 ---------------------------------------------------------------------
 Stoichiometry    NO(1+)
 Framework group  C*V[C*(NO)]
 Deg. of freedom     1
 Full point group                 C*V     NOp   4
 Largest Abelian subgroup         C2V     NOp   4
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0       -0.000000    0.000000   -0.572248
      2          8           0        0.000000   -0.000000    0.500717
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000          58.7939026          58.7939026

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (SG) (SG) (SG) (SG) (PI) (PI) (SG)
       Virtual   (PI) (PI) (SG) (PI) (PI) (SG) (SG) (SG) (PI) (PI)
                 (DLTA) (DLTA) (SG) (PI) (PI) (DLTA) (DLTA) (SG)
                 (PI) (PI) (SG) (SG) (SG)
 The electronic state is 1-SG.
 Alpha  occ. eigenvalues --  -19.80576 -14.99941  -1.78397  -1.09903  -0.98591
 Alpha  occ. eigenvalues --   -0.98591  -0.92100
 Alpha virt. eigenvalues --   -0.50268  -0.50268   0.00724   0.25583   0.25583
 Alpha virt. eigenvalues --    0.27861   0.32064   0.42725   0.52168   0.52168
 Alpha virt. eigenvalues --    1.01644   1.01644   1.01998   1.13887   1.13887
 Alpha virt. eigenvalues --    1.54298   1.54298   2.06096   2.22911   2.22911
 Alpha virt. eigenvalues --    2.50293   2.86770   3.22213
          Condensed to atoms (all electrons):
               1          2
     1  N    5.842102   0.481075
     2  O    0.481075   7.195747
 Mulliken charges:
               1
     1  N    0.676823
     2  O    0.323177
 Sum of Mulliken charges =   1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  N    0.676823
     2  O    0.323177
 Electronic spatial extent (au):  <R**2>=             32.5186
 Charge=              1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=             -0.0000    Z=             -0.4462  Tot=              0.4462
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.9078   YY=             -7.9078   ZZ=             -7.2788
   XY=             -0.0000   XZ=             -0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.2097   YY=             -0.2097   ZZ=              0.4193
   XY=             -0.0000   XZ=             -0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=             -0.0000  ZZZ=              1.2883  XYY=              0.0000
  XXY=             -0.0000  XXZ=              0.2384  XZZ=              0.0000  YZZ=             -0.0000
  YYZ=              0.2384  XYZ=             -0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=             -5.0167 YYYY=             -5.0167 ZZZZ=            -20.2483 XXXY=             -0.0000
 XXXZ=             -0.0000 YYYX=             -0.0000 YYYZ=              0.0000 ZZZX=             -0.0000
 ZZZY=              0.0000 XXYY=             -1.6722 XXZZ=             -4.0623 YYZZ=             -4.0623
 XXYZ=              0.0000 YYXZ=             -0.0000 ZZXY=             -0.0000
 N-N= 2.761870373884D+01 E-N=-3.526851017933D+02  KE= 1.282367398736D+02
 Symmetry A1   KE= 1.190903088061D+02
 Symmetry A2   KE= 1.141065889708D-30
 Symmetry B1   KE= 4.573215533733D+00
 Symmetry B2   KE= 4.573215533733D+00
 1\1\GINC-NID00433\FOpt\RB3LYP\6-31G(d)\N1O1(1+)\VIRGANDH\13-Feb-2020\0
 \\#n B3LYP/6-31G(d) Opt\\NO\\1,1\N,-7.5787239544,0.0746876189,0.\O,-6.
 5106360456,0.1768823811,0.\\Version=ES64L-G16RevA.03\State=1-SG\HF=-12
 9.529789\RMSD=2.825e-09\RMSF=2.665e-09\Dipole=-0.1747359,-0.0167187,0.
 \Quadrupole=0.3075008,-0.1516294,-0.1558714,0.0443355,0.,0.\PG=C*V [C*
 (N1O1)]\\@


 PATIENCE IS THE ABILITY TO IDLE YOUR MOTOR WHEN
 YOU FEEL LIKE STRIPPING YOUR GEARS.
 Job cpu time:       0 days  0 hours  6 minutes 14.5 seconds.
 Elapsed time:       0 days  0 hours  0 minutes 19.5 seconds.
 File lengths (MBytes):  RWF=      6 Int=      0 D2E=      0 Chk=      1 Scr=      1
 Normal termination of Gaussian 16 at Thu Feb 13 17:32:23 2020.
