%chk=000104041.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000104041

0 1
S -4.894391 -0.302710 -0.161984
O -0.444617 3.215893 0.701690
O -4.829088 0.144236 1.204740
O -4.668471 1.122155 -1.048261
O -6.065045 -0.934560 -0.692821
N -0.874033 1.631671 -0.961315
C -2.181392 -0.422726 -0.289824
C -1.777060 0.550027 -1.414330
C -3.448179 -1.211102 -0.635580
C 0.388927 1.324853 -0.356852
C -1.413621 2.758300 -0.237479
C 0.645735 2.338195 0.616343
C -3.498500 -2.552970 0.087074
C 1.332129 0.343579 -0.607430
C 2.537705 0.400514 0.130906
C 1.814749 2.405643 1.345483
C -2.561324 3.416647 -0.379889
C 2.768904 1.405362 1.079985
C 3.574092 -0.628666 -0.113440
C 4.840814 -0.251219 -0.585928
C 3.293080 -1.982737 0.126678
C 5.816572 -1.224093 -0.817532
C 4.274917 -2.949873 -0.103695
C 5.536153 -2.573063 -0.576551
H -2.301545 0.120619 0.674770
H -1.341926 -1.125112 -0.098261
H -2.679133 1.032391 -1.874316
H -1.259470 0.003311 -2.235446
H -3.468249 -1.410074 -1.740705
H -3.445862 -2.446202 1.181136
H -4.410483 -3.121948 -0.152499
H -2.652234 -3.191597 -0.205253
H 1.173293 -0.432124 -1.351295
H 1.990611 3.185794 2.081710
H -3.315113 3.149841 -1.102400
H -4.727059 1.951661 -0.531171
H -2.793976 4.300404 0.194101
H 3.709152 1.415477 1.632935
H 5.058544 0.798708 -0.777187
H 2.313999 -2.276177 0.500101
H 6.798044 -0.929967 -1.186915
H 4.057329 -3.999616 0.086955
H 6.298823 -3.328542 -0.756248


%chk=000104041-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104041

0 1
S -5.036794 -0.342626 -1.126908
O -0.148838 3.383959 1.026346
O -5.122461 1.185116 -0.588053
O -4.288054 -0.325372 -2.844386
O -6.385611 -1.235021 -1.141826
N -0.897130 1.534617 -0.110168
C -2.540034 -0.300811 0.268802
C -1.810083 0.600590 -0.761830
C -3.471137 -1.342554 -0.343550
C 0.485455 1.359619 0.092182
C -1.318978 2.759065 0.474932
C 0.941858 2.512240 0.781682
C -4.065131 -2.372338 0.612002
C 1.378516 0.341149 -0.271048
C 2.759110 0.498850 0.068422
C 2.277799 2.696936 1.128811
C -2.554048 3.314897 0.550747
C 3.184034 1.666653 0.760633
C 3.743306 -0.561023 -0.297830
C 5.074879 -0.225065 -0.670261
C 3.379567 -1.936663 -0.291149
C 6.007699 -1.225203 -1.017523
C 4.309572 -2.938277 -0.642706
C 5.630472 -2.588352 -1.007332
H -3.093036 0.334019 0.986377
H -1.784805 -0.861053 0.857334
H -2.544503 1.175570 -1.352901
H -1.235706 -0.018713 -1.474595
H -3.086025 -1.786793 -1.278084
H -4.450569 -1.902865 1.533201
H -4.881429 -2.945789 0.141377
H -3.266501 -3.083277 0.895788
H 1.047755 -0.535228 -0.837145
H 2.608907 3.588191 1.667416
H -3.433304 2.814218 0.139129
H -4.930506 0.127904 -3.462385
H -2.674842 4.285157 1.033005
H 4.234785 1.762464 1.051467
H 5.370655 0.828984 -0.717714
H 2.370612 -2.225754 0.025681
H 7.025347 -0.940508 -1.307835
H 4.008150 -3.991773 -0.620931
H 6.353852 -3.364939 -1.279173


