%chk=000232713.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232713

0 1
S -2.770316 2.184282 -0.486937
N -0.373040 1.396487 0.431864
N 2.376804 0.550330 0.098144
C 0.470580 1.931173 -0.686736
C 0.494420 1.090077 1.618733
C 1.519005 0.873948 -1.084669
C 1.539817 0.028241 1.222690
C -1.467293 2.325830 0.792160
C 3.623543 -0.092553 -0.147748
C 4.274069 0.055427 -1.395771
C 4.292538 -0.785394 0.888943
C -3.545712 0.636240 -0.178424
C 5.551182 -0.467492 -1.586647
C 5.569718 -1.300583 0.676934
C 6.207671 -1.150582 -0.558099
C -4.926499 0.635876 0.037076
C -2.820316 -0.556104 -0.216313
C -4.876567 -1.789206 0.179403
C -5.591893 -0.579893 0.210111
C -3.487845 -1.769331 -0.031898
C -5.592194 -3.089166 0.353877
H 0.977869 2.885475 -0.425504
H -0.188467 2.132454 -1.561671
H -0.147452 0.680929 2.428442
H 1.008798 1.990311 2.020652
H 1.011451 -0.034180 -1.480794
H 2.154535 1.283582 -1.902839
H 2.190105 -0.186799 2.101314
H 1.030063 -0.921555 0.944688
H -1.191903 3.402169 0.815212
H -1.892785 2.061342 1.782716
H 3.787879 0.591338 -2.208408
H 3.821440 -0.906646 1.861968
H 6.042121 -0.342450 -2.551723
H 6.075061 -1.828240 1.485703
H 7.201216 -1.557734 -0.716162
H -5.486052 1.571624 0.069872
H -1.738474 -0.540491 -0.380871
H -6.667589 -0.587911 0.370698
H -2.928084 -2.701456 -0.058339
H -4.955679 -3.859000 0.810008
H -6.484006 -2.994003 0.987520
H -5.926420 -3.480164 -0.619174


%chk=000232713-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232713

0 1
S -2.829686 2.297494 -0.397409
N -0.300119 1.395231 0.522004
N 2.400360 0.478206 0.081866
C 0.533943 1.991384 -0.544300
C 0.530726 0.935430 1.661930
C 1.592969 0.992441 -1.041998
C 1.566358 -0.087699 1.166662
C -1.442204 2.217743 0.913573
C 3.693196 -0.053859 -0.167149
C 4.207114 -0.188025 -1.492926
C 4.547264 -0.434109 0.914115
C -3.654492 0.665710 -0.154288
C 5.516535 -0.664721 -1.718025
C 5.847434 -0.919456 0.675842
C 6.351021 -1.037886 -0.641698
C -5.069376 0.627084 -0.153031
C -2.917945 -0.534264 -0.012423
C -5.020592 -1.823145 0.138625
C -5.739052 -0.609062 -0.016218
C -3.603024 -1.759404 0.147874
C -5.748068 -3.151101 0.262324
H 1.048010 2.916157 -0.180718
H -0.128950 2.269480 -1.384055
H -0.125862 0.455134 2.411228
H 1.063980 1.785488 2.154699
H 1.086554 0.164683 -1.591535
H 2.252371 1.522634 -1.750038
H 2.201534 -0.395598 2.010945
H 1.024421 -0.991186 0.801433
H -1.195523 3.293499 1.064742
H -1.891324 1.813649 1.835400
H 3.583033 0.055387 -2.357487
H 4.209054 -0.321182 1.949336
H 5.878521 -0.756690 -2.748915
H 6.477931 -1.194231 1.529714
H 7.364283 -1.411439 -0.821695
H -5.640463 1.557172 -0.245774
H -1.823471 -0.492806 -0.026515
H -6.835997 -0.626591 -0.017385
H -3.023811 -2.683880 0.266218
H -5.144605 -3.894920 0.811749
H -6.712499 -3.037679 0.788677
H -5.968252 -3.578870 -0.735373


