%chk=000235594.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235594

0 1
S 6.335923 -0.051141 0.030582
O 6.646194 0.405666 -1.568176
O 6.701077 1.115387 0.796803
O 7.036088 -1.292589 0.222669
O -2.621361 2.058460 0.351406
N -1.809048 -0.068567 -0.031747
N -8.094515 -1.282200 -0.208205
C 1.857536 -0.693520 -0.168946
C 2.378454 0.591329 0.160313
C -0.409835 0.175965 0.030538
C 0.449924 -0.884238 -0.229752
C 4.644006 -0.270265 -0.036397
C 3.786705 0.779264 0.218787
C 1.464276 1.664071 0.422232
C 2.772473 -1.765305 -0.428695
C 0.112022 1.471578 0.361193
C 4.126285 -1.556969 -0.363868
C -2.853061 0.882783 0.162589
C -4.212377 0.288020 0.082160
C -5.164451 0.910213 -0.745975
C -4.578950 -0.828707 0.850560
C -6.819317 -0.726237 -0.070418
C -6.456789 0.411457 -0.833490
C -5.868555 -1.339233 0.783769
H 0.073228 -1.871392 -0.484950
H 4.176525 1.772398 0.477148
H 1.870851 2.646475 0.673132
H 2.371398 -2.746492 -0.678531
H -0.585423 2.296266 0.558008
H 4.827574 -2.377366 -0.556127
H -2.081774 -1.026118 -0.277451
H -4.879164 1.796599 -1.320007
H -3.850862 -1.293430 1.518984
H -7.182899 0.890151 -1.485316
H -6.144537 -2.204665 1.379874
H 7.497573 0.829320 -1.735518
H -8.418383 -1.935760 0.485966
H -8.822411 -0.730209 -0.632241


%chk=000235594-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235594

0 1
S 6.482090 0.014250 0.141536
O 6.775218 0.141316 -1.694025
O 6.813473 1.448098 0.815277
O 7.217598 -1.328971 0.668597
O -2.720088 2.149302 -0.001014
N -1.807705 -0.015757 -0.090247
N -8.221195 -1.248629 -0.024763
C 1.875130 -0.662434 -0.089771
C 2.404753 0.677228 0.088339
C -0.419331 0.247454 -0.034890
C 0.462934 -0.843986 -0.145849
C 4.639618 -0.245282 0.036240
C 3.819950 0.870053 0.145479
C 1.485082 1.771027 0.197094
C 2.787348 -1.768644 -0.194474
C 0.108285 1.577558 0.136425
C 4.166746 -1.574865 -0.135677
C -2.885925 0.889432 -0.027997
C -4.244356 0.266596 -0.017594
C -5.350818 1.108168 -0.318618
C -4.510413 -1.093900 0.304175
C -6.923221 -0.753706 -0.018134
C -6.662172 0.616672 -0.326644
C -5.820288 -1.600031 0.306617
H 0.066918 -1.859922 -0.276332
H 4.246254 1.869186 0.286770
H 1.881037 2.784302 0.329160
H 2.386898 -2.780348 -0.323847
H -0.592073 2.410881 0.208270
H 4.873859 -2.406840 -0.200146
H -2.057121 -0.997531 -0.225084
H -5.145556 2.160210 -0.541968
H -3.703801 -1.774702 0.605917
H -7.496663 1.285414 -0.569246
H -6.001354 -2.648254 0.572734
H 7.764109 0.222822 -1.830990
H -8.412603 -2.221337 0.198482
H -9.008216 -0.643830 -0.242898


