%chk=000188569.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188569

0 1
O -0.871426 0.075381 -2.243876
O -0.601898 -1.891543 2.197701
N -1.649516 0.999895 -0.304300
N -0.249302 -2.042699 -0.061696
C 4.166644 0.668049 0.370486
C 3.781160 -0.822335 0.445809
C 3.153994 1.416972 -0.517498
C 2.352853 -1.008705 0.974679
C 1.723086 1.260612 0.014206
C 1.354196 -0.185933 0.209000
C -2.738854 1.706086 -1.039355
C -1.899035 0.848003 1.155035
C -4.107605 1.052296 -0.790378
C -3.261485 0.188138 1.428473
C -4.397277 0.928307 0.711177
C 0.178498 -0.678463 -0.233006
C 5.589546 0.833464 -0.171560
C -0.828120 0.123364 -1.022080
C -0.634798 -2.558092 1.176079
H 4.126009 1.099442 1.400844
H 4.491250 -1.366449 1.095581
H 3.868838 -1.284193 -0.556828
H 3.206697 1.036693 -1.556725
H 3.414684 2.489920 -0.573592
H 2.294323 -0.716432 2.047103
H 2.096133 -2.086776 0.958468
H 1.023027 1.779467 -0.674066
H 1.617721 1.784339 0.989020
H -2.501570 1.706612 -2.129827
H -2.742482 2.764377 -0.699236
H -1.861607 1.862360 1.609966
H -1.088459 0.244934 1.633372
H -4.132757 0.051006 -1.263815
H -4.897738 1.644555 -1.287506
H -3.443801 0.163046 2.519570
H -3.233699 -0.870140 1.104583
H -4.530419 1.934138 1.153815
H -5.353855 0.395930 0.868763
H 6.320474 0.317018 0.460095
H 5.690477 0.429502 -1.185179
H 5.881332 1.888710 -0.211256
H -0.317607 -2.584064 -0.922135
H -0.958534 -3.611395 1.142991


%chk=000188569-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188569

0 1
O -1.177956 -0.721271 -2.234620
O 0.043656 -2.857015 2.071587
N -1.707237 0.714402 -0.468341
N -0.105406 -2.411486 -0.240732
C 4.009938 0.747302 0.501735
C 3.784514 -0.776668 0.364084
C 2.878853 1.494974 -0.242983
C 2.388816 -1.227933 0.872111
C 1.473810 1.096711 0.281284
C 1.258276 -0.410490 0.271099
C -2.727104 1.418226 -1.285265
C -1.729051 1.031160 0.979430
C -4.149017 1.184950 -0.725299
C -3.139745 0.798116 1.571788
C -4.218830 1.564216 0.772500
C 0.125546 -0.986461 -0.238539
C 5.403484 1.166279 -0.011607
C -0.959275 -0.298452 -1.044414
C -0.188847 -3.217802 0.884179
H 3.938610 1.008452 1.581078
H 4.565828 -1.329686 0.921496
H 3.893896 -1.055709 -0.704643
H 2.947860 1.264566 -1.325954
H 3.008991 2.590036 -0.135869
H 2.346019 -1.126273 1.976463
H 2.246554 -2.300532 0.662750
H 0.695457 1.616094 -0.303878
H 1.386240 1.456597 1.330268
H -2.634364 1.046584 -2.318361
H -2.494115 2.503417 -1.272129
H -1.439330 2.093845 1.119566
H -0.989056 0.399258 1.494517
H -4.416879 0.118651 -0.856135
H -4.871061 1.781370 -1.314868
H -3.136037 1.115565 2.631972
H -3.361737 -0.286795 1.555260
H -4.053095 2.656413 0.882675
H -5.224379 1.349712 1.179903
H 6.207663 0.637926 0.533868
H 5.513276 0.928012 -1.087267
H 5.567855 2.253409 0.111083
H -0.450541 -2.785034 -1.133324
H -0.482982 -4.259239 0.616435


