%chk=000216575.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216575

0 1
S 1.893864 1.031490 0.352084
O -1.487008 2.505421 -1.152141
N -3.063189 -2.251837 -0.176898
C -0.603002 2.134402 -0.061731
C 0.657483 1.684475 -0.831711
C -0.346605 3.372283 0.823911
C 1.323365 2.845490 -1.569185
C 0.294302 4.511544 0.022719
C -1.282702 1.019539 0.761561
C 1.588944 4.052577 -0.660377
C -1.754762 -0.154837 -0.100699
C -2.641061 -1.116198 0.710353
C 1.733436 -0.722736 0.241274
C -4.268721 -2.932426 0.385430
C -1.953872 -3.236604 -0.350344
C 1.789021 -1.380332 -0.989457
C 1.624585 -1.432619 1.439570
C 1.724467 -2.777284 -1.018881
C 1.570683 -2.830241 1.400209
C 1.616590 -3.501520 0.173697
H 0.364440 0.894533 -1.564082
H 0.310316 3.089933 1.670658
H -1.292104 3.720808 1.276276
H 0.641854 3.155093 -2.394843
H 2.263018 2.515117 -2.051867
H -0.592559 0.657947 1.549636
H -2.145312 1.448801 1.307335
H 0.496739 5.371824 0.686182
H -0.423469 4.865403 -0.745590
H 2.014497 4.880839 -1.257853
H 2.355638 3.805313 0.099434
H -2.314216 0.216042 -0.985359
H -0.885490 -0.703887 -0.514929
H -2.362351 2.767900 -0.819048
H -2.107952 -1.453816 1.624068
H -3.550160 -0.577483 1.053994
H -4.136348 -3.360265 1.389256
H -4.572469 -3.742375 -0.297107
H -5.102222 -2.212812 0.417978
H -1.064221 -2.715581 -0.745520
H -2.256230 -3.981323 -1.102827
H -1.655462 -3.766055 0.565770
H 1.892257 -0.821694 -1.919356
H 1.584459 -0.911038 2.395882
H 1.766079 -3.301400 -1.972581
H 1.492017 -3.395286 2.327505
H 1.573033 -4.588824 0.146801


%chk=000216575-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216575

0 1
S 1.605054 0.919980 0.841717
O -1.448292 2.548973 -1.417396
N -3.331967 -2.231319 0.026176
C -0.754473 2.201817 -0.137348
C 0.592755 1.611281 -0.646365
C -0.509765 3.497000 0.683185
C 1.423837 2.661092 -1.412651
C 0.325509 4.540951 -0.093911
C -1.631113 1.203182 0.658844
C 1.665682 3.936566 -0.573653
C -1.919065 -0.133441 -0.058508
C -2.928727 -0.989805 0.731432
C 1.854519 -0.836720 0.349508
C -4.502577 -2.865058 0.666285
C -2.222740 -3.193018 -0.143822
C 2.213318 -1.208927 -0.969434
C 1.738139 -1.828431 1.354913
C 2.432458 -2.569750 -1.282040
C 1.980853 -3.184941 1.039931
C 2.321510 -3.562345 -0.279977
H 0.380130 0.737766 -1.283966
H 0.012774 3.223997 1.622971
H -1.489232 3.926199 0.979121
H 0.855469 2.926398 -2.325498
H 2.385915 2.214423 -1.726132
H -1.144037 1.006641 1.633230
H -2.593375 1.715434 0.884725
H 0.507983 5.425139 0.546898
H -0.253375 4.883055 -0.973392
H 2.226725 4.677835 -1.173761
H 2.298754 3.685200 0.302169
H -2.323639 0.054322 -1.070606
H -0.972045 -0.691038 -0.178189
H -2.365994 2.847875 -1.189794
H -2.503884 -1.215488 1.748200
H -3.848771 -0.393366 0.896278
H -4.303610 -3.218929 1.711536
H -4.825916 -3.737344 0.069845
H -5.341694 -2.147098 0.704038
H -1.409780 -2.747921 -0.740615
H -2.590448 -4.082740 -0.685907
H -1.785222 -3.535106 0.830347
H 2.338411 -0.445225 -1.744877
H 1.451173 -1.538786 2.371506
H 2.706144 -2.849868 -2.305528
H 1.890970 -3.945218 1.824012
H 2.501258 -4.614943 -0.524298


