%chk=000216343.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216343

0 1
O -0.616884 -2.878613 0.513238
N 0.895540 2.026495 -0.361626
N 0.856133 -1.232686 -0.169841
C 2.346212 2.390074 -0.529267
C 2.736387 3.699794 0.197193
C 2.297941 3.708103 1.665695
C 0.466416 2.078596 1.070666
C 0.802843 3.392946 1.793889
C 3.216049 1.203446 -0.056784
C 3.269572 0.071976 -1.098114
C 0.020438 2.873226 -1.227201
C 3.290449 -1.283645 -0.444840
C 2.098222 -1.921762 -0.003987
C 4.511702 -1.940940 -0.264620
C 2.162015 -3.197081 0.583238
C 4.571359 -3.206937 0.325947
C 3.394503 -3.831216 0.744244
C -0.425889 -1.751162 0.085600
C -1.523921 -0.788171 -0.216003
C -2.798938 -1.132553 0.007466
C -3.946582 -0.252903 -0.266674
C -3.901945 1.117347 0.038140
C -5.111109 -0.800363 -0.833380
C -5.008407 1.929564 -0.224689
C -6.209779 0.018536 -1.101595
C -6.161218 1.383436 -0.796995
H 2.527524 2.543735 -1.626452
H 2.277385 4.557317 -0.331083
H 3.828414 3.856657 0.127384
H 2.518878 4.692280 2.119766
H 2.889102 2.968203 2.239940
H 0.970682 1.227649 1.586515
H -0.622949 1.875327 1.126708
H 0.518120 3.318161 2.859654
H 0.203045 4.223161 1.376667
H 4.242485 1.553485 0.159635
H 2.837760 0.816054 0.911631
H 2.406641 0.142351 -1.795895
H 4.159097 0.201582 -1.746496
H 0.066178 3.951090 -1.011634
H 0.299337 2.719417 -2.281876
H -1.026435 2.548714 -1.117660
H 5.432771 -1.459733 -0.591406
H 1.243423 -3.697224 0.912006
H 5.530243 -3.701824 0.455508
H 0.927631 -0.254336 -0.511044
H 3.432345 -4.819706 1.200380
H -1.239812 0.180351 -0.631507
H -3.046237 -2.126766 0.410189
H -3.008336 1.544396 0.490135
H -5.153901 -1.863213 -1.069788
H -4.972211 2.990361 0.018093
H -7.107933 -0.407709 -1.546743
H -7.021156 2.018213 -1.003425


%chk=000216343-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216343

0 1
O -0.648289 -2.811769 0.548998
N 0.955273 2.034936 -0.237554
N 0.908653 -1.174894 -0.161879
C 2.407963 2.444065 -0.334119
C 2.723246 3.736927 0.475375
C 2.246341 3.642990 1.943871
C 0.465891 2.004757 1.182459
C 0.738589 3.300975 1.985286
C 3.306360 1.242118 0.046703
C 3.319403 0.150381 -1.072481
C 0.088701 2.858133 -1.122255
C 3.333955 -1.268354 -0.529419
C 2.132944 -1.895646 -0.057283
C 4.548896 -1.986404 -0.453497
C 2.190028 -3.214112 0.476832
C 4.608855 -3.294475 0.076435
C 3.420372 -3.900176 0.540395
C -0.386160 -1.657020 0.076748
C -1.457351 -0.689838 -0.300055
C -2.770369 -0.994472 -0.072006
C -3.952810 -0.187482 -0.406496
C -3.892142 1.014914 -1.171248
C -5.229322 -0.627061 0.049556
C -5.058625 1.751496 -1.453550
C -6.398425 0.110259 -0.231350
C -6.318481 1.305568 -0.982611
H 2.591315 2.663733 -1.406193
H 2.222654 4.601705 -0.006319
H 3.811424 3.935397 0.428206
H 2.444463 4.595831 2.470058
H 2.817810 2.858225 2.479627
H 0.957738 1.156962 1.697114
H -0.614941 1.774383 1.160061
H 0.396019 3.158109 3.028174
H 0.152307 4.144027 1.567181
H 4.338264 1.595361 0.233521
H 2.961555 0.796385 0.997703
H 2.435146 0.306061 -1.722454
H 4.204929 0.303346 -1.716111
H 0.111215 3.948725 -0.899429
H 0.401630 2.719783 -2.172757
H -0.960644 2.525139 -1.026208
H 5.463454 -1.506051 -0.823691
H 1.265915 -3.679816 0.822278
H 5.563336 -3.830014 0.121270
H 0.965390 -0.173350 -0.434368
H 3.443407 -4.915084 0.953167
H -1.149136 0.246436 -0.780800
H -2.953421 -1.959432 0.424039
H -2.929280 1.361823 -1.563131
H -5.294446 -1.554136 0.631989
H -4.993035 2.670377 -2.047183
H -7.368807 -0.246050 0.131486
H -7.224557 1.879807 -1.205183


