%chk=000221258.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221258

0 1
S 1.092369 -1.490459 1.820293
O -1.414751 -1.521353 2.381866
O -2.570624 -1.443070 -2.258229
O -1.667465 3.506646 0.678181
O -2.265993 -2.955374 -0.630935
O -1.371668 2.292481 -1.180612
N -0.078451 -0.281032 -0.716871
C -1.015907 -0.153645 0.419262
C -2.420242 -0.554193 -0.092148
C -1.050144 1.273239 1.030876
C -0.626019 -1.094312 1.590884
C 1.309063 -0.045020 -0.509069
C 1.954627 -0.552109 0.629277
C -2.386370 -1.798643 -0.938935
C -1.362336 2.338022 0.028269
C 2.068766 0.624903 -1.493867
C 3.331143 -0.386083 0.808135
C 3.442164 0.770838 -1.318543
C 4.075341 0.276907 -0.167886
H -3.099689 -0.733428 0.776726
H -2.874339 0.279584 -0.679138
H -1.777108 1.319821 1.877206
H -0.067782 1.514269 1.508928
H -0.457641 0.168460 -1.572174
H 1.584515 1.018296 -2.386514
H 3.825083 -0.776092 1.700615
H 4.032186 1.280772 -2.081511
H 5.148167 0.407428 -0.040072
H -2.550022 -2.224785 -2.874106
H -1.866371 4.257831 0.051391


%chk=000221258-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221258

0 1
S 1.092662 -1.498136 1.909192
O -1.562072 -1.706626 2.323218
O -2.272509 -1.465208 -2.325805
O -1.224047 3.579661 0.774030
O -2.766318 -2.962306 -0.617212
O -1.530740 2.283720 -1.123619
N -0.095397 -0.336914 -0.692982
C -1.053880 -0.209680 0.415343
C -2.486535 -0.544758 -0.110956
C -1.045679 1.214438 1.074873
C -0.705840 -1.185463 1.585002
C 1.273134 -0.067635 -0.534241
C 1.945784 -0.466361 0.652762
C -2.526415 -1.794273 -0.975246
C -1.295226 2.355461 0.103492
C 2.026076 0.574199 -1.556883
C 3.318452 -0.192940 0.838393
C 3.403414 0.815013 -1.386199
C 4.053677 0.448460 -0.182324
H -3.140971 -0.711240 0.758661
H -2.845826 0.306553 -0.710404
H -1.800085 1.266969 1.882087
H -0.067352 1.401005 1.557465
H -0.500325 -0.155148 -1.616380
H 1.515166 0.888152 -2.474784
H 3.812837 -0.501232 1.766263
H 3.968033 1.306581 -2.185820
H 5.119835 0.651265 -0.041814
H -2.287418 -2.296399 -2.874130
H -1.381934 4.322737 0.129317


