%chk=000285204.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285204

0 1
S -0.172275 -1.698412 0.680716
O 4.304731 0.724208 1.307804
O 0.828263 0.528004 -1.587421
O 0.557172 -0.797939 1.563382
O -0.299224 -3.091675 1.086177
N 2.823786 -0.332694 -0.889762
N -5.538573 0.380642 -0.602387
C 3.441737 1.025259 -0.962667
C 3.544840 -1.224699 0.060155
C 3.586003 1.629314 0.444603
C 3.645953 -0.552791 1.441706
C 0.745449 -1.726055 -0.851912
C 1.439206 -0.418327 -1.102166
C -1.710916 -1.083642 0.288898
C -2.846855 -1.882153 0.509508
C -1.872322 0.218280 -0.214779
C -4.119990 -1.408474 0.234800
C -3.133376 0.720622 -0.499326
C -4.274408 -0.092885 -0.277601
H 4.437644 0.915209 -1.445687
H 2.823049 1.685279 -1.614758
H 3.051543 -2.215370 0.135273
H 4.564417 -1.399439 -0.355931
H 4.228885 2.526442 0.452176
H 2.604313 1.858133 0.898318
H 2.645509 -0.409285 1.907938
H 4.313497 -1.097171 2.130020
H 1.442655 -2.591206 -0.864021
H 0.076591 -1.937382 -1.716187
H -2.722221 -2.899191 0.907644
H -0.990639 0.851296 -0.399417
H -4.987765 -2.037800 0.406264
H -3.241166 1.725887 -0.896728
H -6.360224 -0.124655 -0.321043
H -5.675488 1.349072 -0.833889


%chk=000285204-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285204

0 1
S -0.166549 -1.633842 0.677217
O 4.672283 0.670962 1.292738
O 1.001993 0.610500 -1.874967
O 0.588891 -0.542432 1.638862
O -0.283608 -3.198890 1.148359
N 2.844402 -0.257531 -0.732895
N -5.785337 0.284611 -0.529756
C 3.602219 1.003921 -0.918017
C 3.517510 -1.223478 0.168555
C 3.925401 1.625339 0.455757
C 3.857623 -0.536570 1.512944
C 0.811002 -1.651836 -1.059331
C 1.564072 -0.352041 -1.247323
C -1.887143 -1.034041 0.259940
C -2.954561 -1.923688 0.477889
C -2.069211 0.279868 -0.214505
C -4.261377 -1.479680 0.213207
C -3.378135 0.714562 -0.482381
C -4.493423 -0.154657 -0.269143
H 4.546447 0.774175 -1.449230
H 2.988678 1.682306 -1.533044
H 2.875589 -2.095230 0.368437
H 4.451079 -1.570049 -0.317646
H 4.583780 2.502157 0.343538
H 2.985666 1.921636 0.966401
H 2.914484 -0.282750 2.035902
H 4.475188 -1.200936 2.138929
H 1.394074 -2.581391 -0.989930
H 0.003749 -1.723019 -1.800993
H -2.754785 -2.933223 0.852651
H -1.215004 0.941885 -0.388607
H -5.108709 -2.154651 0.379687
H -3.543118 1.729643 -0.861064
H -6.585247 -0.322529 -0.375332
H -5.958121 1.227301 -0.867147


