%chk=000287763.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287763

0 1
O -0.277960 -1.134921 1.328414
N -2.306940 0.494196 -0.039806
N -4.626050 -1.228702 -0.294981
C -0.889706 0.902942 0.171615
C -0.824820 2.065695 1.184216
C -2.964444 -0.101132 1.170321
C -2.434814 -0.467479 -1.186357
C 0.608140 2.398359 1.611790
C -4.463314 -0.298900 0.872377
C -3.932592 -0.662364 -1.499339
C 0.076295 -0.204351 0.637351
C 1.597135 2.454843 0.440814
C 1.483651 -0.091015 0.145647
C 2.181253 1.122423 0.051036
C -6.074767 -1.446333 -0.586335
C 2.118502 -1.292432 -0.216824
C 3.499333 1.107280 -0.440543
C 3.424041 -1.307097 -0.709107
C 4.124080 -0.082275 -0.826247
C 4.063138 -2.601709 -1.095355
C 5.523217 -0.050499 -1.350016
H -0.526642 1.283009 -0.824597
H -1.432018 1.821555 2.081876
H -1.313748 2.951026 0.730782
H -2.839726 0.596513 2.025597
H -2.502272 -1.072390 1.470550
H -1.966976 -1.453990 -0.968680
H -1.926414 -0.041658 -2.075593
H 0.961993 1.662524 2.363758
H 0.607315 3.374256 2.137170
H -4.949488 -0.768178 1.754139
H -4.947774 0.687964 0.709593
H -4.370891 0.301239 -1.838682
H -4.039790 -1.389549 -2.331903
H 2.415880 3.158565 0.704199
H 1.108534 2.906667 -0.450231
H -6.168577 -2.167799 -1.413655
H -6.639197 -0.540188 -0.850070
H -6.549707 -1.907142 0.294802
H 1.567555 -2.230045 -0.097675
H 4.048052 2.044585 -0.519718
H 3.397980 -3.461839 -0.940032
H 4.351900 -2.605242 -2.155651
H 4.971015 -2.790094 -0.504651
H 5.578846 -0.472251 -2.364180
H 5.937030 0.964826 -1.399609
H 6.197945 -0.643294 -0.714709


%chk=000287763-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000287763

0 1
O -0.271973 -1.473144 1.001403
N -2.318196 0.339762 0.070891
N -4.803067 -1.085768 -0.315497
C -0.921801 0.777679 0.265242
C -0.800931 1.890629 1.342641
C -3.078376 -0.190492 1.233054
C -2.522459 -0.528665 -1.114459
C 0.646326 2.407381 1.547174
C -4.576005 -0.237526 0.878635
C -4.019112 -0.587282 -1.468762
C 0.103027 -0.360895 0.520244
C 1.497943 2.445950 0.249767
C 1.528149 -0.162148 0.074870
C 2.151696 1.111562 -0.106745
C -6.233276 -1.244906 -0.632776
C 2.273574 -1.344006 -0.193910
C 3.491317 1.126132 -0.570465
C 3.599873 -1.318640 -0.663901
C 4.223278 -0.046919 -0.866286
C 4.346778 -2.609388 -0.947094
C 5.649868 0.047116 -1.372211
H -0.621419 1.239950 -0.699024
H -1.187535 1.522176 2.310383
H -1.465192 2.713796 1.016629
H -2.942122 0.476777 2.101495
H -2.733741 -1.207745 1.515277
H -2.154358 -1.565507 -0.934680
H -1.962395 -0.103407 -1.970036
H 1.174907 1.781337 2.291415
H 0.591736 3.425897 1.976141
H -5.139514 -0.668869 1.728139
H -4.941813 0.809544 0.713005
H -4.355063 0.435551 -1.782837
H -4.169098 -1.275446 -2.322767
H 2.302455 3.195864 0.366205
H 0.868528 2.811681 -0.589295
H -6.350876 -1.939015 -1.484940
H -6.740272 -0.281543 -0.899697
H -6.761355 -1.678266 0.236005
H 1.767137 -2.300813 -0.023011
H 3.988480 2.096759 -0.696507
H 3.716227 -3.488336 -0.733044
H 4.668001 -2.672029 -2.004977
H 5.263407 -2.692783 -0.331628
H 5.761518 -0.442131 -2.359076
H 5.973256 1.096567 -1.475663
H 6.356670 -0.460840 -0.687829


