%chk=000208647.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208647

0 1
S 1.326149 0.566580 1.924124
S 4.620950 -0.321736 1.582118
S -3.276761 2.298602 -1.641193
S -1.851211 -2.779232 -2.359486
P 2.970965 0.075743 0.721310
O 2.867171 1.375390 -0.272463
O 2.327005 -1.081740 -0.261488
O -0.918489 1.535472 -0.774810
O -1.674833 -2.527431 0.221240
O -1.176381 2.234738 1.368255
O -3.227475 -0.965010 0.749819
C -0.095184 0.085370 0.867668
C -0.967441 -0.845567 1.696539
C -0.781120 1.405152 0.590210
C -2.104363 -1.391167 0.866622
C 3.925860 1.543621 -1.276253
C 2.681197 -2.486190 -0.029130
C 3.557612 2.863550 -1.925175
C 1.492570 -3.235528 -0.592577
C -1.560608 2.731436 -1.273090
C -2.562511 -3.145913 -0.740926
C -4.022760 2.101375 -0.012937
C -2.301412 -1.058448 -2.633164
H 0.221097 -0.422269 -0.093714
H -1.390904 -0.323491 2.589708
H -0.357095 -1.689992 2.100190
H 3.877987 0.698561 -1.988153
H 4.912346 1.587047 -0.775421
H 3.612089 -2.673484 -0.598562
H 2.840889 -2.694763 1.043932
H 4.282036 3.147302 -2.696989
H 3.517470 3.671876 -1.180235
H 2.562195 2.815512 -2.387730
H 1.663935 -4.317530 -0.599802
H 1.276311 -2.922775 -1.626438
H 0.567746 -3.041266 -0.026177
H -1.025185 2.939723 -2.218017
H -1.456838 3.562532 -0.552706
H -2.474290 -4.228296 -0.535141
H -3.600255 -2.789624 -0.611755
H -5.074010 2.410330 -0.064527
H -3.525974 2.702574 0.761042
H -3.986656 1.046305 0.309672
H -3.372010 -0.868672 -2.485567
H -1.745530 -0.370352 -1.976577
H -2.053987 -0.800614 -3.672045


%chk=000208647-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208647

0 1
S 1.384924 0.340611 2.372125
S 4.922386 -0.379654 1.569412
S -2.908881 2.634386 -1.867042
S -1.969984 -3.069789 -2.174234
P 3.037929 0.001367 0.825412
O 2.759479 1.398178 -0.154799
O 2.376705 -1.186244 -0.274292
O -0.689426 1.584658 -0.515683
O -1.906891 -2.603170 0.577602
O -1.259156 2.201708 1.673830
O -3.236768 -0.679649 0.699809
C -0.135391 0.047253 1.238124
C -1.145702 -0.843460 2.013990
C -0.751916 1.393007 0.868618
C -2.226778 -1.325970 1.057739
C 3.594584 1.560272 -1.389706
C 2.676391 -2.634288 -0.053580
C 3.138062 2.867963 -2.026932
C 2.180204 -3.365223 -1.297518
C -1.258855 2.859669 -1.042078
C -2.772417 -3.165892 -0.499642
C -4.030974 2.474004 -0.353316
C -2.272133 -1.252073 -2.596700
H 0.248660 -0.467756 0.342291
H -1.609268 -0.253520 2.822665
H -0.614165 -1.709671 2.436225
H 3.418790 0.691617 -2.050545
H 4.660416 1.592072 -1.093156
H 3.766083 -2.749360 0.100428
H 2.145390 -2.970566 0.857661
H 3.717779 3.056987 -2.949359
H 3.291335 3.713539 -1.335662
H 2.067921 2.815341 -2.290713
H 2.373371 -4.448828 -1.188119
H 2.708337 -3.007569 -2.197901
H 1.095749 -3.219294 -1.440730
H -0.559638 3.185266 -1.824660
H -1.334089 3.585844 -0.217514
H -2.876789 -4.232998 -0.261179
H -3.739279 -2.638250 -0.502249
H -5.059346 2.590229 -0.729641
H -3.799891 3.276830 0.362923
H -3.901286 1.486943 0.112247
H -3.325580 -0.994021 -2.413783
H -1.615506 -0.593303 -2.011437
H -2.044090 -1.149492 -3.668734


