%chk=000216530.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216530

0 1
N -0.948068 0.109737 0.539221
N 1.789250 0.454872 1.499995
N 3.554244 -0.728860 0.416702
N 3.410147 1.736334 0.283020
N 6.550131 0.348277 -1.232436
N 5.637486 -1.663383 -0.599027
C -0.202275 1.391138 0.292644
C 0.015472 -1.044267 0.544864
C -2.018354 -0.095589 -0.507165
C 0.836391 1.600111 1.412742
C 1.056241 -0.836532 1.661764
C -3.002654 1.066067 -0.501923
C -2.796192 -1.375110 -0.230621
C 2.929122 0.469511 0.677391
C -3.422641 1.609824 -1.724747
C -3.112935 -2.224723 -1.300797
C -3.512522 1.583012 0.698338
C -3.219595 -1.704735 1.065373
C -4.344358 2.660833 -1.743916
C -3.847029 -3.392615 -1.073793
C -4.431214 2.634806 0.674217
C -3.950684 -2.874017 1.287547
C 4.756614 -0.634754 -0.213936
C -4.849404 3.175669 -0.546308
C -4.266473 -3.719904 0.219068
C 5.323842 0.646195 -0.613866
C 4.590176 1.816555 -0.343083
C 6.684371 -1.050976 -1.192766
H -0.929079 2.233630 0.312609
H 0.297271 1.420865 -0.699440
H 0.529998 -1.189507 -0.429846
H -0.552319 -1.979381 0.749689
H -1.552100 -0.170231 -1.530211
H 1.383580 2.557348 1.259124
H 0.328605 1.670199 2.402823
H 0.557474 -0.798626 2.657439
H 1.771026 -1.692401 1.685452
H -3.039540 1.214145 -2.663058
H -2.793981 -1.978800 -2.311513
H -3.182080 1.160294 1.648540
H -2.967933 -1.044970 1.897228
H -4.669900 3.077568 -2.695357
H -4.092097 -4.048192 -1.907536
H -4.824589 3.032177 1.608287
H -4.276627 -3.126006 2.295208
H -5.567087 3.992999 -0.563237
H -4.837360 -4.629317 0.393731
H 4.943839 2.812315 -0.632885
H 7.186800 1.022651 -1.608325
H 7.546810 -1.566342 -1.602627


%chk=000216530-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216530

0 1
N -1.026770 0.040777 0.104313
N 1.802903 0.339465 0.566776
N 3.894221 -0.721316 0.304660
N 3.663365 1.735906 0.154513
N 7.185275 0.484330 -0.328628
N 6.199570 -1.564971 -0.011927
C -0.324814 1.308259 -0.241890
C -0.093080 -1.104550 -0.094387
C -2.303891 -0.136447 -0.654778
C 0.909164 1.506148 0.658272
C 1.147121 -0.958204 0.805892
C -3.236703 1.073758 -0.479952
C -3.040524 -1.416129 -0.221733
C 3.160601 0.445678 0.336056
C -3.868654 1.649530 -1.607881
C -3.727454 -2.192488 -1.185590
C -3.517452 1.603257 0.805475
C -3.096859 -1.809302 1.139341
C -4.770408 2.728930 -1.460119
C -4.465461 -3.335300 -0.801497
C -4.411250 2.684547 0.956407
C -3.827931 -2.953014 1.526006
C 5.217807 -0.551658 0.072660
C -5.045372 3.250284 -0.175852
C -4.519492 -3.719260 0.557812
C 5.820667 0.742008 -0.124519
C 4.991067 1.878383 -0.075391
C 7.344445 -0.902032 -0.249784
H -1.013070 2.156992 -0.096034
H 0.000317 1.308226 -1.313241
H 0.235156 -1.171279 -1.162377
H -0.610411 -2.044346 0.159797
H -2.091160 -0.230503 -1.752165
H 1.475197 2.401585 0.361539
H 0.570337 1.627893 1.708519
H 0.830635 -1.018672 1.868132
H 1.877991 -1.756644 0.607544
H -3.653868 1.252753 -2.608229
H -3.687009 -1.900731 -2.242821
H -3.020347 1.169386 1.679867
H -2.546851 -1.220877 1.882177
H -5.251963 3.163113 -2.343695
H -4.991775 -3.925785 -1.560066
H -4.617082 3.085475 1.955584
H -3.859292 -3.248062 2.581229
H -5.742324 4.087647 -0.057676
H -5.088675 -4.606100 0.858550
H 5.358194 2.902189 -0.214909
H 7.920474 1.168227 -0.499115
H 8.315235 -1.379184 -0.372266


