%chk=000239154.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239154

0 1
O -1.319126 1.462154 0.349995
O -1.467742 3.741911 -0.036731
N 6.423342 0.800611 0.214725
N -1.612646 -4.760037 -0.164312
N 0.080808 1.604757 0.307277
C 2.187405 0.539408 0.152676
C 0.083077 -0.877880 0.076702
C 0.706029 0.462806 0.182931
C 5.011226 0.670663 0.116335
C -1.113306 -3.428534 -0.143579
C 2.955783 -0.462793 0.769721
C -0.953792 -1.255184 0.944585
C 2.843401 1.615132 -0.470569
C 0.514077 -1.783745 -0.906196
C 4.344225 -0.407871 0.749390
C -1.547334 -2.509120 0.841902
C 4.232441 1.679151 -0.500675
C -0.075221 -3.037197 -1.025174
C 7.201242 -0.448538 0.437843
C 7.089421 1.698197 -0.767825
C -1.477170 -5.509282 -1.443534
C -2.937900 -4.993010 0.472036
C -3.449083 2.385175 0.300764
C -1.995791 2.686593 0.175605
C -4.320438 3.453431 0.565428
C -3.948203 1.083784 0.148258
C -5.691567 3.214388 0.681377
C -5.321415 0.852847 0.263796
C -6.191037 1.915895 0.530757
H 2.456776 -1.294978 1.271271
H -1.299547 -0.551419 1.706503
H 2.254445 2.411476 -0.935454
H 1.318600 -1.496714 -1.586698
H 4.912850 -1.192018 1.243685
H -2.337642 -2.778234 1.538368
H 4.709846 2.526917 -0.986484
H 0.280710 -3.719162 -1.793821
H 6.825079 -0.963363 1.340241
H 8.256203 -0.194552 0.632449
H 7.160012 -1.151641 -0.408625
H 8.153914 1.808082 -0.503383
H 6.640965 2.706602 -0.709829
H 7.021179 1.344005 -1.808254
H -2.074615 -5.088748 -2.267609
H -1.781025 -6.557761 -1.289561
H -0.416610 -5.526388 -1.752518
H -3.145503 -6.075410 0.502386
H -3.771186 -4.491287 -0.044101
H -2.911843 -4.644202 1.520026
H -3.919503 4.464532 0.674784
H -3.261331 0.258220 -0.059832
H -6.370924 4.040280 0.887335
H -5.713667 -0.155520 0.144612
H -7.261590 1.732674 0.620602


%chk=000239154-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239154

0 1
O -1.327827 1.423404 0.346421
O -1.435715 3.760579 0.701248
N 6.477554 0.736897 -0.138438
N -1.858852 -4.781854 -0.262156
N 0.156083 1.554406 0.391926
C 2.210574 0.441612 0.094814
C 0.046415 -0.958670 0.104571
C 0.728108 0.360975 0.207476
C 5.086187 0.640936 -0.058122
C -1.236221 -3.537049 -0.142712
C 3.047069 -0.646102 0.469425
C -1.024172 -1.337449 0.961594
C 2.846336 1.635533 -0.351795
C 0.460953 -1.903237 -0.875147
C 4.447005 -0.557010 0.398053
C -1.644385 -2.592115 0.855129
C 4.241561 1.738236 -0.431827
C -0.162654 -3.154412 -1.010207
C 7.317441 -0.403503 0.247791
C 7.105845 1.988665 -0.580774
C -1.419502 -5.727184 -1.296100
C -2.959155 -5.145206 0.639771
C -3.472200 2.452043 0.389514
C -1.992815 2.663384 0.499078
C -4.311171 3.579199 0.589863
C -4.047037 1.187936 0.092044
C -5.711608 3.444949 0.497104
C -5.449392 1.059918 -0.001305
C -6.284214 2.184627 0.201501
H 2.592826 -1.570758 0.841217
H -1.362887 -0.641144 1.734335
H 2.218443 2.485554 -0.636538
H 1.277588 -1.641360 -1.556938
H 5.044575 -1.418009 0.710009
H -2.448482 -2.839683 1.553763
H 4.678964 2.673836 -0.791030
H 0.186638 -3.833527 -1.792797
H 7.182070 -0.674898 1.315046
H 8.377541 -0.146592 0.095558
H 7.094427 -1.302119 -0.362605
H 8.201175 1.874282 -0.564891
H 6.842275 2.838429 0.081014
H 6.806799 2.256794 -1.614508
H -1.539862 -5.307573 -2.315774
H -2.024377 -6.645451 -1.234594
H -0.355154 -6.011808 -1.168567
H -3.323606 -6.152958 0.385776
H -3.812701 -4.442486 0.551992
H -2.635958 -5.157372 1.700662
H -3.843545 4.543664 0.814477
H -3.394192 0.325365 -0.070119
H -6.355518 4.317429 0.653078
H -5.892143 0.085297 -0.235205
H -7.372808 2.080684 0.127495


