%chk=000218153.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218153

0 1
S 1.782773 -1.198202 0.496828
S 3.295001 -0.657446 -0.782638
O 4.358125 -0.073414 0.367469
O 3.902932 -1.810081 -1.353264
O 2.876948 0.470783 -1.553182
N -1.033492 0.653051 0.989116
N 0.495093 1.887386 -0.474140
C -2.304584 1.155293 0.440395
C -2.503896 0.988733 -1.086271
C -3.461543 0.513432 1.244661
C -2.002795 -0.312619 -1.722472
C -3.522677 -1.016272 1.210038
C -2.292488 -1.597868 -0.935939
C -3.638793 -1.607636 -0.201109
C 0.144626 0.956212 0.543817
C 1.317805 0.367798 1.292920
H -2.351116 2.265817 0.649195
H -2.024075 1.842439 -1.607466
H -3.588651 1.091453 -1.296764
H -4.417218 0.935079 0.879059
H -3.365498 0.833760 2.303120
H -2.454370 -0.395270 -2.732368
H -0.909272 -0.248500 -1.889970
H -2.616114 -1.421666 1.707164
H -4.382101 -1.352512 1.821899
H -1.478379 -1.760534 -0.198358
H -2.243719 -2.458217 -1.630824
H -4.403859 -1.065260 -0.785927
H -4.003486 -2.650594 -0.125204
H 2.167280 1.075323 1.386600
H 1.023323 0.113137 2.342084
H -0.225711 2.083668 -1.162197
H 1.404826 1.773773 -0.924234
H 5.300804 -0.286646 0.266963


%chk=000218153-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218153

0 1
S 2.089678 -1.317906 0.064201
S 3.954545 0.126338 -0.731213
O 5.309376 -0.332345 0.461579
O 4.497114 -0.166174 -2.226164
O 3.494829 1.646048 -0.352947
N -1.039472 0.312559 0.782295
N 0.595068 1.764346 -0.282281
C -2.204116 1.034901 0.216672
C -2.446875 0.674187 -1.290648
C -3.458158 0.769539 1.090891
C -2.229344 -0.801047 -1.712390
C -3.876051 -0.707440 1.270136
C -2.822893 -1.889430 -0.776152
C -4.129519 -1.512181 -0.031015
C 0.187488 0.722448 0.535419
C 1.311313 -0.035780 1.206940
H -2.033283 2.140102 0.252694
H -1.799016 1.304124 -1.935570
H -3.487830 0.978091 -1.516503
H -4.297116 1.343262 0.645164
H -3.272547 1.202662 2.094011
H -2.663003 -0.909180 -2.727417
H -1.143959 -0.992195 -1.819953
H -3.088999 -1.228403 1.849059
H -4.793935 -0.720797 1.892638
H -2.067746 -2.148094 -0.009922
H -2.990334 -2.804258 -1.378862
H -4.819269 -0.957911 -0.701766
H -4.655785 -2.447656 0.245722
H 2.117160 0.633318 1.560033
H 0.912656 -0.611231 2.059958
H -0.081273 2.295946 -0.826806
H 1.599589 1.964175 -0.395518
H 6.177406 -0.235616 -0.033285


