%chk=000196179.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196179

0 1
S -0.796800 -0.324770 0.529984
O 1.236599 -1.064043 -0.731966
O 4.118200 0.365297 1.747199
O 1.455055 1.716457 1.616948
O 4.799094 -0.434399 -0.993577
O -3.364703 -0.306572 1.088648
O -0.671531 2.984802 0.244525
O 1.772742 -2.451627 -3.124480
O -3.524971 -0.309476 -2.535655
O -0.734764 2.577068 2.718370
O -1.345029 -1.738533 -2.308870
C 3.236680 0.487729 0.622559
C 1.770054 0.414980 1.108576
C 3.606373 -0.732919 -0.259655
C 0.847210 0.144194 -0.090580
C 2.549564 -0.994039 -1.354229
C -1.870917 0.938848 -0.217618
C -3.228834 0.238177 -0.235423
C 2.664976 -2.376624 -2.015237
C -1.847651 2.256095 0.571107
C -3.299231 -0.917614 -1.268037
C -1.946679 2.107498 2.107094
C -2.046184 -1.816404 -1.322960
H 3.442241 1.451661 0.104443
H 1.667964 -0.345284 1.915870
H 3.784771 -1.623857 0.384978
H 0.821247 0.995029 -0.806883
H 2.554991 -0.184936 -2.119137
H -1.549010 1.160553 -1.270682
H -4.060224 0.954244 -0.439079
H -2.654085 2.931643 0.186044
H 2.438178 -3.189394 -1.301543
H 3.668254 -2.519474 -2.465384
H -4.207604 -1.539691 -1.084733
H 3.984554 1.127085 2.357867
H 0.729252 1.650346 2.331589
H 5.538476 -0.260417 -0.363298
H -2.790029 2.689926 2.517235
H -2.034864 1.057646 2.456598
H -4.273184 -0.640293 1.243537
H 0.161136 2.560941 0.640833
H 0.837802 -2.291006 -2.819146
H -1.916811 -2.551266 -0.520369
H -2.698324 -0.374475 -3.100599
H -0.536684 3.497896 2.399037


%chk=000196179-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196179

0 1
S -0.838732 -0.414510 0.850009
O 1.267251 -1.345583 -0.540090
O 4.280427 0.910328 1.300349
O 1.453935 1.728941 1.592117
O 4.847913 -0.492632 -1.141378
O -3.793890 -0.250961 0.874216
O -0.791673 3.144874 0.501951
O 1.660719 -2.784862 -2.962642
O -2.781343 0.034094 -2.710584
O -0.734871 2.310750 3.057946
O -1.289791 -2.109085 -2.198668
C 3.207243 0.588132 0.354781
C 1.851806 0.420149 1.060391
C 3.635674 -0.714125 -0.354739
C 0.824632 -0.086788 0.029153
C 2.527466 -1.170385 -1.323931
C -1.872554 0.953981 0.013243
C -3.232619 0.346518 -0.344947
C 2.733769 -2.521366 -2.009530
C -1.921499 2.270032 0.833031
C -3.124354 -0.692978 -1.504341
C -2.037171 2.084232 2.386553
C -2.137410 -1.856741 -1.293606
H 3.113314 1.396624 -0.404468
H 1.947636 -0.321203 1.879606
H 3.804763 -1.492834 0.420992
H 0.668765 0.680857 -0.758290
H 2.363947 -0.390491 -2.098833
H -1.377287 1.179492 -0.948563
H -3.889541 1.156330 -0.729746
H -2.801856 2.838854 0.479400
H 2.799944 -3.315126 -1.233866
H 3.669351 -2.502917 -2.589946
H -4.131105 -1.165028 -1.615802
H 4.018927 1.731459 1.790167
H 0.733074 1.640224 2.303650
H 5.511056 -0.060831 -0.542143
H -2.773346 2.798748 2.799169
H -2.335528 1.059581 2.647819
H -4.740356 -0.501230 0.724591
H 0.079679 2.678541 0.701980
H 0.779115 -2.696502 -2.506112
H -2.299958 -2.521708 -0.424940
H -2.067176 -0.498367 -3.170632
H -0.521048 3.274514 2.950586


