%chk=000296505.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296505

0 1
O -7.650693 1.325016 -0.416515
O 7.650204 -1.317978 0.442234
O -7.416304 -1.383766 0.571207
O 7.415794 1.390704 -0.545711
N -2.747709 1.411812 -0.423305
N 2.747216 -1.404816 0.449039
N -2.549297 -0.765960 0.282955
N 2.548792 0.772893 -0.257404
C -4.052926 0.928355 -0.251681
C 4.052429 -0.921365 0.277379
C -3.911932 -0.437864 0.189602
C 3.911426 0.444816 -0.164015
C -1.867137 0.341158 -0.083282
C 1.866639 -0.334200 0.108932
C -5.310235 1.534430 -0.419726
C 5.309745 -1.527417 0.445478
C -5.055038 -1.224271 0.437029
C 5.054530 1.231215 -0.411504
C -6.419705 0.743883 -0.158345
C 6.419205 -0.736886 0.184033
C -0.421649 0.501646 -0.148597
C 0.421150 -0.494685 0.174257
C -6.290425 -0.627104 0.256651
C 6.289917 0.634071 -0.231079
C -8.568358 1.341732 0.712933
C 8.567820 -1.334804 -0.687250
C -8.198461 -1.762599 -0.596236
C 8.198001 1.769598 0.621680
H -2.493397 2.334378 -0.723468
H 2.492909 -2.327361 0.749274
H -5.421643 2.565998 -0.739813
H 5.421152 -2.558961 0.765644
H -4.963265 -2.261469 0.758314
H 4.962740 2.268382 -0.732881
H -0.047801 1.480726 -0.476093
H 0.047305 -1.473771 0.501739
H -8.690632 0.336976 1.135653
H -9.493289 1.702136 0.250490
H -8.194856 2.044989 1.462049
H 8.690080 -0.330083 -1.110057
H 8.194281 -2.038122 -1.436289
H 9.492767 -1.695172 -0.224812
H -9.045520 -2.290046 -0.145206
H -7.608156 -2.428791 -1.230987
H -8.521151 -0.870136 -1.143671
H 8.520668 0.877170 1.169185
H 7.607740 2.435871 1.256388
H 9.045071 2.296970 0.170585


%chk=000296505-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296505

0 1
O -7.734629 1.276807 -0.414724
O 7.734133 -1.269843 0.440326
O -7.471080 -1.438579 0.535534
O 7.470584 1.445564 -0.509900
N -2.762080 1.370507 -0.474845
N 2.761586 -1.363533 0.500458
N -2.550095 -0.771114 0.304358
N 2.549601 0.778091 -0.278738
C -4.067311 0.904209 -0.298678
C 4.066817 -0.897235 0.324293
C -3.909579 -0.444219 0.189086
C 3.909086 0.451195 -0.163467
C -1.876585 0.335841 -0.101979
C 1.876092 -0.328864 0.127598
C -5.331153 1.495357 -0.489492
C 5.330659 -1.488383 0.515103
C -5.055886 -1.229639 0.459371
C 5.055393 1.236616 -0.433749
C -6.459750 0.705795 -0.196003
C 6.459257 -0.698822 0.221614
C -0.441221 0.498060 -0.167543
C 0.440727 -0.491083 0.193163
C -6.321041 -0.657636 0.251147
C 6.320548 0.664612 -0.225526
C -8.573367 1.415275 0.800802
C 8.572856 -1.408336 -0.775209
C -8.259800 -1.808015 -0.663343
C 8.259292 1.815004 0.688984
H -2.486102 2.291795 -0.809628
H 2.485608 -2.284822 0.835237
H -5.477510 2.521532 -0.837448
H 5.477016 -2.514561 0.863054
H -4.973274 -2.260794 0.811408
H 4.972781 2.267774 -0.785778
H -0.036440 1.454617 -0.521277
H 0.035946 -1.447640 0.546896
H -8.726392 0.435236 1.285523
H -9.530473 1.829184 0.448482
H -8.096930 2.118452 1.510004
H 8.725885 -0.428307 -1.259947
H 8.096405 -2.111520 -1.484395
H 9.529963 -1.822250 -0.422894
H -9.114426 -2.390068 -0.285690
H -7.649221 -2.433006 -1.342361
H -8.611485 -0.905717 -1.195967
H 8.610978 0.912708 1.221611
H 7.648703 2.439990 1.367997
H 9.113917 2.397064 0.311339


