%chk=000235439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235439

0 1
O 0.468877 -1.024351 -0.411416
O 2.686333 1.508539 1.188499
N -1.240567 0.567561 -0.342157
N 0.993323 1.179353 -0.963696
N 2.348318 0.798099 -0.965630
N 6.901358 -1.128108 0.083205
C -3.674160 0.324483 -0.057852
C -4.789114 -0.497484 0.253126
C -2.359767 -0.284752 -0.054935
C -3.903317 1.704220 -0.357712
C -4.597004 -1.883235 0.552501
C -2.203096 -1.624950 0.234769
C -6.102000 0.076019 0.261424
C -3.337022 -2.424217 0.540336
C -5.171313 2.229779 -0.344189
C -6.287979 1.403531 -0.028893
C 0.078401 0.123782 -0.515428
C 4.421942 0.167978 0.171327
C 3.094812 0.857984 0.249841
C 5.601475 0.917674 0.195284
C 4.477538 -1.228599 0.107074
C 6.824911 0.225603 0.147414
C 5.743673 -1.837778 0.067841
H -3.055250 2.345166 -0.601464
H -5.466804 -2.493569 0.787769
H -1.214240 -2.097141 0.234343
H -6.947628 -0.567084 0.503667
H -3.177627 -3.479582 0.765639
H -1.467612 1.548836 -0.540862
H -5.343617 3.280386 -0.572945
H -7.283814 1.845214 -0.023844
H 0.882074 2.102289 -0.501251
H 2.537274 0.049002 -1.648832
H 5.576048 2.004989 0.258402
H 3.569241 -1.832615 0.102372
H 7.781694 0.762912 0.162659
H 5.847238 -2.929433 0.021914


%chk=000235439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235439

0 1
O 0.199303 -1.722837 -0.066426
O 3.014722 2.126854 -0.066940
N -1.344767 0.095170 -0.006988
N 0.958777 0.456802 -0.046021
N 2.264033 -0.040359 -0.075413
N 7.419470 -0.502187 -0.176036
C -3.795751 0.260178 0.048590
C -5.088464 -0.397878 0.050133
C -2.603810 -0.567850 -0.001415
C -3.770889 1.695190 0.097345
C -5.162957 -1.828190 0.004988
C -2.710913 -1.967118 -0.043795
C -6.280039 0.399567 0.097758
C -3.994252 -2.587266 -0.039986
C -4.949128 2.445332 0.143433
C -6.219903 1.792535 0.143341
C -0.076650 -0.479436 -0.041179
C 4.690011 0.341421 -0.115816
C 3.291703 0.875464 -0.084678
C 5.746419 1.285294 -0.142447
C 5.028305 -1.037000 -0.119259
C 7.079103 0.822742 -0.171878
C 6.391934 -1.403367 -0.149542
H -2.825106 2.252651 0.101985
H -6.146984 -2.310010 0.007001
H -1.802905 -2.571248 -0.079013
H -7.249070 -0.113345 0.097987
H -4.047564 -3.680650 -0.073727
H -1.380731 1.114606 0.016369
H -4.898850 3.538772 0.180331
H -7.138258 2.387902 0.179531
H 0.929723 1.482863 -0.035746
H 2.304228 -1.064642 -0.091417
H 5.506820 2.352495 -0.139305
H 4.274071 -1.831438 -0.097608
H 7.916418 1.528637 -0.193086
H 6.684550 -2.459153 -0.152774


