%chk=000294665.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294665

0 1
S 2.223989 -0.370225 -1.124636
O 0.203070 0.683075 1.059300
O -1.558723 -3.287802 -0.527449
N -1.003904 -1.174143 0.308131
N 2.662623 2.214373 0.463298
C 1.372591 -1.294804 0.190982
C 0.791412 -2.596942 -0.355870
C 0.183860 -0.427139 0.589479
C -0.720327 -2.477885 -0.241362
C -2.347791 -0.680618 0.538593
C -2.860604 0.401380 -0.261040
C -4.180928 0.851121 0.009556
C -3.106708 -1.276912 1.522673
C -2.115958 1.031699 -1.307019
C 3.698051 0.159455 -0.377596
C -4.951797 0.223033 1.039467
C -4.428942 -0.813675 1.769652
C -4.724908 1.927610 -0.762057
C -2.663713 2.059666 -2.033367
C 3.764871 1.388462 0.321138
C -3.984879 2.515783 -1.756340
C 4.852891 -0.616297 -0.564024
C 5.027614 1.809908 0.839246
C 6.074299 -0.193065 -0.058710
C 6.150923 1.028108 0.642348
H 2.047078 -1.464501 1.060595
H 1.152014 -3.485749 0.200235
H 1.075013 -2.794439 -1.413998
H -2.717602 -2.105440 2.113238
H -1.104803 0.686578 -1.521315
H -5.962305 0.583983 1.227336
H -5.012270 -1.301009 2.550622
H -5.736202 2.266674 -0.542436
H -2.098563 2.541569 -2.830037
H -4.391676 3.335089 -2.347586
H 4.786970 -1.558888 -1.112750
H 5.099865 2.751143 1.376641
H 6.969761 -0.790084 -0.201907
H 7.115432 1.355311 1.035333
H 2.700971 2.972639 1.125250
H 1.724407 1.856060 0.293787


%chk=000294665-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294665

0 1
S 2.220160 -0.225061 -1.187913
O 0.050005 0.867435 1.075744
O -1.575224 -3.321453 -0.304441
N -1.078036 -1.097303 0.377014
N 2.843070 1.918214 1.060583
C 1.307416 -1.125275 0.262690
C 0.782343 -2.521954 -0.116979
C 0.069203 -0.310237 0.636914
C -0.744227 -2.427039 -0.048965
C -2.436556 -0.632558 0.549124
C -2.956228 0.398422 -0.311127
C -4.326336 0.825217 -0.100172
C -3.224601 -1.225226 1.537023
C -2.197648 1.004216 -1.366129
C 3.837215 0.211849 -0.428024
C -5.110023 0.208426 0.929625
C -4.573832 -0.802367 1.728256
C -4.873688 1.850798 -0.940479
C -2.763108 1.994994 -2.170905
C 3.946731 1.261572 0.546055
C -4.110016 2.427115 -1.956065
C 4.990984 -0.450248 -0.910815
C 5.264129 1.612405 0.987134
C 6.279098 -0.085594 -0.466458
C 6.401173 0.956032 0.487547
H 2.031450 -1.123868 1.091812
H 1.127007 -3.308213 0.577563
H 1.080836 -2.833159 -1.131980
H -2.802930 -2.018002 2.162319
H -1.163994 0.691627 -1.542816
H -6.144605 0.540241 1.075972
H -5.179930 -1.275847 2.507083
H -5.908874 2.171048 -0.773053
H -2.171281 2.448758 -2.972978
H -4.537192 3.208453 -2.593714
H 4.865240 -1.248524 -1.650212
H 5.374008 2.414888 1.727233
H 7.164228 -0.598909 -0.853941
H 7.392885 1.255795 0.845766
H 2.979481 2.657670 1.745499
H 1.876770 1.638767 0.853614


