%chk=000228936.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228936

0 1
O 4.079554 -1.146742 -0.608393
O 4.902110 0.591965 0.626584
N 0.396762 1.383077 -0.087623
N 3.154812 0.933630 -0.897053
N -3.571073 0.715912 -1.667554
C 0.819194 0.050366 -0.632318
C 1.521265 2.012249 0.682868
C 2.022051 0.242643 -1.576115
C 2.731856 2.211097 -0.251530
C -0.817239 1.244280 0.789898
C -1.995397 0.823120 -0.018387
C -2.940592 -0.211108 0.334289
C 4.094413 0.168765 -0.177186
C -2.398499 1.366150 -1.229230
C -3.920413 -0.256729 -0.715934
C -3.064527 -1.097755 1.419949
C -5.001026 -1.161744 -0.692009
C -4.126557 -1.985745 1.439540
C -5.085341 -2.016078 0.392786
C 5.146077 -2.013370 -0.103359
C 4.847881 -2.426516 1.322626
H -0.037258 -0.372780 -1.204527
H 1.068372 -0.687062 0.160412
H 1.824182 1.424877 1.576453
H 1.178267 3.004808 1.047862
H 2.364508 -0.738371 -1.975405
H 1.731617 0.875430 -2.446580
H 2.474102 2.918178 -1.073427
H 3.589252 2.646661 0.311034
H -1.027525 2.245400 1.238582
H -0.660500 0.543270 1.640718
H -1.930312 2.148842 -1.802357
H -4.069132 0.916457 -2.511263
H -2.333076 -1.076621 2.224049
H -5.731342 -1.180799 -1.493249
H -4.241551 -2.680264 2.269058
H -5.902730 -2.733370 0.456561
H 5.082577 -2.848641 -0.824640
H 6.108642 -1.479790 -0.198638
H 5.556798 -3.182690 1.678514
H 4.916826 -1.562772 2.003185
H 3.836368 -2.838531 1.422107


%chk=000228936-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228936

0 1
O 4.599201 -1.082223 -0.736396
O 5.245085 0.884168 0.389258
N 0.264552 1.057347 0.149540
N 3.041586 0.573503 -0.360277
N -3.500450 0.452905 -1.936224
C 0.735801 -0.304868 -0.209354
C 1.304934 1.776056 0.926967
C 2.016277 -0.225354 -1.061283
C 2.595820 1.904170 0.097007
C -1.051443 1.041364 0.840637
C -2.184699 0.648544 -0.077101
C -3.394036 -0.070372 0.285137
C 4.354989 0.194547 -0.184151
C -2.288432 0.951790 -1.434424
C -4.203045 -0.179542 -0.903710
C -3.877499 -0.636811 1.495957
C -5.457577 -0.828309 -0.910176
C -5.126946 -1.286457 1.495284
C -5.909263 -1.381029 0.305454
C 5.983525 -1.597129 -0.544629
C 6.136372 -2.281543 0.816964
H -0.058112 -0.812243 -0.784871
H 0.941256 -0.915006 0.707262
H 1.540523 1.252182 1.888521
H 0.931986 2.788049 1.171974
H 2.418544 -1.229044 -1.258624
H 1.774316 0.260364 -2.029035
H 2.396408 2.546458 -0.784823
H 3.408418 2.353736 0.689853
H -1.221219 2.062921 1.237708
H -1.043818 0.359475 1.730106
H -1.577559 1.478650 -2.067011
H -3.812533 0.528571 -2.901504
H -3.290622 -0.568996 2.419089
H -6.062719 -0.902966 -1.820886
H -5.510550 -1.727856 2.421925
H -6.878312 -1.891484 0.338208
H 6.112684 -2.305255 -1.379657
H 6.689733 -0.754531 -0.646586
H 7.144492 -2.729457 0.900658
H 6.015672 -1.548930 1.632451
H 5.390057 -3.085697 0.941060


