%chk=000220585.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220585

0 1
S -1.903435 1.439634 0.772153
O -2.697210 1.759020 1.939729
O -1.672733 2.417651 -0.265558
O 3.995000 -1.692125 2.188971
N -0.378273 1.003468 1.466611
C -2.457776 -0.025796 0.069983
C 0.848580 0.852895 0.776623
C -3.295639 -0.875964 0.802434
C -2.085484 -0.374221 -1.234766
C -3.370937 -2.425528 -1.062406
C 1.906956 0.178195 1.427295
C 3.119197 -0.007910 0.761847
C -3.750396 -2.069646 0.243576
C -2.535397 -1.565719 -1.799615
C 1.031855 1.341311 -0.532661
C 3.296453 0.456024 -0.547255
C 2.247579 1.128897 -1.181794
C -3.841534 -3.702874 -1.670196
C 4.221659 -0.732270 1.486082
C 5.608628 -0.187080 1.305409
H -0.326358 0.880058 2.487331
H -3.604074 -0.599974 1.818254
H -1.442843 0.293178 -1.819832
H 1.781110 -0.215369 2.436220
H -4.400667 -2.724747 0.821015
H -2.240187 -1.832323 -2.813111
H 0.249511 1.923151 -1.032754
H 4.236089 0.298423 -1.069629
H 2.383141 1.504254 -2.197022
H -3.000385 -4.392532 -1.844293
H -4.567593 -4.237822 -1.042705
H -4.323844 -3.535290 -2.645222
H 5.633941 0.909939 1.335991
H 6.036468 -0.498575 0.342637
H 6.284598 -0.561632 2.089060


%chk=000220585-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220585

0 1
S -2.148644 1.769699 0.643109
O -3.248998 2.073787 1.795827
O -1.937723 2.702704 -0.667202
O 3.122223 -1.764360 2.126620
N -0.476424 1.848975 1.605464
C -2.393350 -0.008289 0.048889
C 0.704696 1.490724 0.903632
C -3.094805 -0.890881 0.888052
C -1.875676 -0.374652 -1.203776
C -2.756242 -2.647688 -0.812514
C 1.497296 0.387490 1.306480
C 2.729292 0.108337 0.661980
C -3.273489 -2.216809 0.439799
C -2.066495 -1.709772 -1.625245
C 1.130612 2.301426 -0.190417
C 3.141381 0.915708 -0.431567
C 2.334250 1.996570 -0.855404
C -2.932316 -4.085659 -1.262882
C 3.540683 -1.057737 1.162784
C 4.872200 -1.371554 0.490319
H -0.651592 1.322640 2.479058
H -3.512709 -0.541877 1.838110
H -1.368928 0.361125 -1.836018
H 1.191052 -0.265928 2.133115
H -3.825560 -2.924939 1.068344
H -1.677499 -2.022864 -2.600556
H 0.517978 3.157411 -0.486924
H 4.084912 0.711535 -0.947619
H 2.656503 2.622030 -1.694642
H -2.187983 -4.743469 -0.774234
H -3.932203 -4.472631 -0.998494
H -2.800855 -4.190373 -2.353140
H 5.564136 -0.511568 0.558824
H 4.731959 -1.598635 -0.582981
H 5.328317 -2.241779 0.985611


