%chk=000197647.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197647

0 1
O 2.416632 2.153964 -0.603096
N 2.953034 0.455397 0.955112
N 2.833461 -0.130628 -1.311170
N -1.029106 -0.833137 -1.316187
N -1.881236 0.946790 -2.444389
N -0.165965 -0.350724 -2.244105
N -0.692241 0.720363 -2.912978
C 2.304965 1.112105 2.116820
C 3.157774 -0.958888 0.860569
C 0.804730 0.977561 2.001002
C 2.696149 0.855719 -0.399512
C 3.135440 -1.289664 -0.542276
C -1.878394 0.546307 1.356889
C 0.162631 -0.191230 2.430796
C 0.075039 1.976638 1.339006
C 3.421293 -1.924400 1.832343
C -3.213047 0.228070 0.800265
C -1.180203 -0.407269 2.111056
C -1.265163 1.764350 1.020136
C 3.392620 -2.598604 -0.961027
C 3.664726 -3.224577 1.389542
C -3.324347 -0.046947 -0.582679
C 3.651759 -3.554204 0.019771
C -4.357697 0.193083 1.603256
C 2.420258 2.597201 -2.026137
C -4.573246 -0.335567 -1.146066
C -5.602171 -0.102705 1.036440
C -2.124633 -0.014953 -1.421694
C -5.710480 -0.363478 -0.332331
C 2.189965 4.084667 -1.901661
H 2.622365 2.182853 2.122718
H 2.696489 0.654869 3.052825
H 0.717668 -0.954579 2.974511
H 0.569933 2.897544 1.027089
H 3.444087 -1.673671 2.888123
H -1.669869 -1.335588 2.403257
H -1.826855 2.522077 0.472917
H 3.393774 -2.848482 -2.019363
H 3.872061 -4.007073 2.118419
H 3.851620 -4.583695 -0.276211
H -4.276570 0.402173 2.669378
H 3.397369 2.327647 -2.461153
H 1.602430 2.061478 -2.539846
H -4.654966 -0.533323 -2.215600
H -6.490756 -0.126917 1.666618
H -6.682287 -0.588376 -0.769913
H 2.172612 4.561838 -2.890977
H 1.230423 4.306062 -1.412421
H 2.974828 4.570918 -1.306195
H 0.791294 -0.715796 -2.363173


%chk=000197647-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197647

0 1
O 2.254643 2.152870 -0.420824
N 2.928070 0.379210 0.981503
N 2.659035 -0.096658 -1.261856
N -0.698533 0.090974 -1.195727
N -1.928294 -1.427869 -2.398356
N 0.058496 -0.584019 -2.111128
N -0.648611 -1.512678 -2.853785
C 2.411132 1.008145 2.234368
C 3.267764 -0.986994 0.816276
C 0.884634 0.936572 2.205127
C 2.588783 0.840599 -0.293982
C 3.112539 -1.263966 -0.581700
C -1.829779 0.675254 1.391469
C 0.237254 -0.324707 2.260314
C 0.116263 2.082295 1.890539
C 3.688003 -1.968780 1.731866
C -3.132784 0.486389 0.673590
C -1.104300 -0.453443 1.854055
C -1.234067 1.954808 1.498037
C 3.385236 -2.550900 -1.087051
C 3.959776 -3.255918 1.212042
C -3.164713 -0.094968 -0.637041
C 3.810844 -3.541673 -0.173277
C -4.354889 0.857673 1.285176
C 1.771718 2.600357 -1.767673
C -4.416903 -0.324214 -1.268676
C -5.593580 0.640792 0.641496
C -1.943670 -0.457068 -1.384533
C -5.623246 0.035947 -0.636036
C 1.762139 4.123557 -1.742534
H 2.762514 2.052424 2.272983
H 2.857019 0.457834 3.080210
H 0.803503 -1.220266 2.542282
H 0.598790 3.066143 1.866456
H 3.810207 -1.757858 2.799441
H -1.573769 -1.442921 1.824876
H -1.794999 2.839334 1.176469
H 3.269593 -2.769664 -2.152944
H 4.292980 -4.048030 1.891103
H 4.029524 -4.550879 -0.537997
H -4.327254 1.300780 2.286783
H 2.457038 2.189961 -2.531233
H 0.762009 2.176386 -1.907614
H -4.421453 -0.782658 -2.262713
H -6.526078 0.932001 1.137211
H -6.578821 -0.146929 -1.139107
H 1.397282 4.505719 -2.713158
H 1.092924 4.500740 -0.950493
H 2.775086 4.525000 -1.569829
H 1.109141 -0.443506 -2.105706


