%chk=000100918.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000100918

0 1
S 3.715416 1.664187 -1.540749
O -2.947731 -2.631931 2.083801
O 3.836679 -2.139447 1.419322
O 1.945963 -1.145431 1.676921
O 7.446249 0.871110 -1.025553
O 6.361575 2.295195 -2.253277
N -5.048203 0.586900 -0.650407
N -1.090153 -1.542827 1.236541
N 0.499976 0.134437 -0.192404
N 1.353547 0.909159 -0.769008
N 3.049342 -1.240720 1.156940
N 6.422818 1.386602 -1.437273
C -3.684491 0.508503 -0.532674
C -5.718101 1.620034 -1.490422
C -5.958809 -0.358498 0.060444
C -3.083328 -0.480543 0.287838
C -2.830314 1.436628 -1.242241
C -1.703643 -0.587429 0.409575
C -5.871768 1.146611 -2.932829
C -6.332981 0.167726 1.442088
C -0.840549 0.331080 -0.331579
C -1.475091 1.343273 -1.133114
C -1.740828 -2.521897 2.050733
C 2.697177 0.633352 -0.559504
C 3.489839 -0.242593 0.202457
C -0.780760 -3.371941 2.821352
C 4.895521 -0.084793 -0.036421
C 5.158263 0.910349 -0.940949
H -5.136353 2.571513 -1.452578
H -6.713867 1.851330 -1.046743
H -5.462772 -1.357339 0.151178
H -6.867500 -0.517263 -0.562491
H -3.719601 -1.179161 0.849005
H -3.277350 2.210468 -1.863232
H -6.351361 1.915779 -3.550932
H -6.483338 0.238760 -3.007067
H -4.901999 0.913444 -3.393731
H -6.988040 -0.540847 1.965642
H -6.854918 1.129954 1.397399
H -5.445445 0.309451 2.076341
H -0.818974 2.041908 -1.667158
H -0.045196 -1.513286 1.274027
H 0.025161 -2.797814 3.308459
H -1.308424 -3.929303 3.612726
H -0.288303 -4.118386 2.177311
H 5.649266 -0.700406 0.460235


%chk=000100918-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100918

0 1
S 3.722402 1.820856 -1.502373
O -2.881085 -2.599635 2.240149
O 3.769153 -2.368004 1.155582
O 1.963747 -1.142951 1.808479
O 7.489152 0.608069 -0.932514
O 6.559783 2.324703 -2.154661
N -5.088233 0.573787 -0.687276
N -1.067109 -1.446797 1.299625
N 0.473832 0.118084 -0.140340
N 1.321101 0.980804 -0.722521
N 3.019494 -1.312089 1.074580
N 6.478245 1.295708 -1.362963
C -3.715139 0.502174 -0.550969
C -5.756879 1.642313 -1.471177
C -5.990595 -0.418389 -0.046275
C -3.123309 -0.475621 0.313166
C -2.851564 1.416920 -1.278920
C -1.729509 -0.557949 0.443764
C -5.912556 1.288372 -2.967359
C -6.376671 -0.041276 1.401346
C -0.866927 0.345397 -0.311428
C -1.474424 1.337919 -1.150848
C -1.629437 -2.413065 2.144307
C 2.648989 0.700519 -0.535400
C 3.455304 -0.268593 0.153448
C -0.615253 -3.232220 2.928096
C 4.855395 -0.160854 -0.104620
C 5.164036 0.898761 -0.940782
H -5.205614 2.590518 -1.349083
H -6.753152 1.803178 -1.020788
H -5.515119 -1.413649 -0.072259
H -6.899534 -0.484938 -0.671880
H -3.722194 -1.157360 0.915511
H -3.280764 2.159673 -1.955453
H -6.443277 2.099988 -3.496960
H -6.494737 0.358559 -3.095932
H -4.930357 1.142947 -3.449225
H -7.064934 -0.799564 1.815366
H -6.884430 0.939442 1.436700
H -5.488202 0.004916 2.053143
H -0.813246 2.010121 -1.705742
H -0.036870 -1.331811 1.294617
H 0.399268 -2.802086 2.907096
H -0.960423 -3.325916 3.970775
H -0.572608 -4.253126 2.506079
H 5.600852 -0.831940 0.323917


