%chk=000183447.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183447

0 1
S -2.499198 1.159300 0.555986
O -2.234429 2.477030 -0.008220
O -2.304305 0.951061 1.981614
O 1.479401 -1.533675 0.356273
O 1.131412 -0.926220 -1.819102
O 4.348051 4.602995 -0.217932
O 4.157646 3.241834 1.577835
C -1.459557 0.000459 -0.339618
C 0.006854 0.255362 0.047197
C -1.948858 -1.451802 -0.080955
C 0.539537 1.638223 -0.377947
C -1.587153 -1.955688 1.316764
C -1.450414 -2.431558 -1.152112
C 1.896908 1.937693 0.267366
C 0.898887 -0.767642 -0.650883
C -4.134434 0.736634 0.151110
C 2.393162 3.329507 -0.137170
C -4.680461 1.144903 -1.069289
C -4.920960 0.041479 1.075130
C 3.688652 3.659365 0.547109
C -6.005614 0.827900 -1.382106
C -6.246776 -0.275680 0.765113
C 2.388043 -2.576105 0.140549
C -6.786701 0.115372 -0.465045
C 2.685589 -3.136009 -1.102419
C 2.961321 -3.035300 1.338448
C 3.593886 -4.200299 -1.139582
C 3.861064 -4.097536 1.269944
C 5.615233 5.092852 0.292730
C 4.177619 -4.681546 0.035201
H -1.558204 0.196409 -1.439450
H 0.119134 0.136961 1.164046
H -3.069398 -1.450177 -0.169144
H -0.183329 2.445600 -0.105190
H 0.613541 1.696080 -1.483612
H -1.874920 -1.246627 2.109311
H -0.505756 -2.125965 1.427486
H -2.079836 -2.909266 1.533728
H -0.463098 -2.850018 -0.915527
H -1.371873 -1.969912 -2.142885
H -2.129045 -3.287876 -1.241237
H 2.647277 1.172978 -0.019892
H 1.822050 1.877814 1.375191
H 2.510042 3.407741 -1.240536
H 1.641212 4.107591 0.129133
H -4.081051 1.726786 -1.776498
H -4.501175 -0.247641 2.046367
H -6.431644 1.143336 -2.333586
H -6.859416 -0.818937 1.483457
H -7.821613 -0.130318 -0.707751
H 2.237405 -2.751216 -2.020317
H 2.702451 -2.561571 2.282780
H 3.845604 -4.653497 -2.098487
H 4.322292 -4.473661 2.183065
H 6.255925 4.253195 0.582573
H 6.023147 5.644432 -0.560341
H 5.423226 5.746287 1.148908
H 4.882246 -5.509239 -0.006382


%chk=000183447-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183447

0 1
S -2.547068 1.382901 0.127186
O -2.409053 2.642952 -0.916316
O -2.212882 1.565712 1.725322
O 1.575923 -1.636532 0.362930
O 1.272744 -0.924321 -1.862691
O 4.335719 4.782397 -0.001263
O 4.470426 2.885339 1.343000
C -1.374188 -0.112818 -0.577241
C 0.040474 0.174029 -0.021567
C -2.047958 -1.460790 -0.229449
C 0.583263 1.599097 -0.350735
C -1.869909 -1.883523 1.249446
C -1.589984 -2.589517 -1.196759
C 2.004471 1.832651 0.204520
C 1.006138 -0.841063 -0.645214
C -4.360640 0.810448 0.007021
C 2.474273 3.272259 -0.080860
C -5.039457 1.051053 -1.198954
C -4.968493 0.274812 1.154058
C 3.840892 3.575535 0.509489
C -6.407599 0.696302 -1.263847
C -6.338091 -0.069104 1.071671
C 2.569559 -2.652213 0.156643
C -7.049854 0.133474 -0.134950
C 3.043638 -3.097087 -1.099586
C 3.045845 -3.205336 1.366076
C 4.017980 -4.123151 -1.118603
C 4.017076 -4.226317 1.323423
C 5.653855 5.209328 0.526804
C 4.506807 -4.690331 0.079100
H -1.444132 0.122788 -1.655441
H 0.034355 0.031463 1.072251
H -3.132496 -1.325871 -0.421198
H -0.099348 2.349355 0.084623
H 0.566964 1.745548 -1.447642
H -2.124367 -1.063656 1.945570
H -0.827658 -2.188300 1.451333
H -2.521784 -2.747095 1.472599
H -0.549592 -2.902294 -1.007031
H -1.666734 -2.281323 -2.254984
H -2.233751 -3.475715 -1.048051
H 2.725394 1.122119 -0.243735
H 2.024023 1.651003 1.295364
H 2.507689 3.479440 -1.166759
H 1.755256 4.002972 0.341630
H -4.525071 1.530887 -2.038115
H -4.396164 0.163267 2.081063
H -6.970087 0.870104 -2.187135
H -6.846542 -0.484951 1.947772
H -8.111003 -0.132810 -0.190752
H 2.675584 -2.653722 -2.024858
H 2.655337 -2.824328 2.314357
H 4.395447 -4.474911 -2.085021
H 4.391453 -4.654926 2.259060
H 6.421001 4.449630 0.300581
H 5.868805 6.156300 0.012201
H 5.600657 5.353269 1.619255
H 5.262455 -5.482232 0.045605


