%chk=000178628.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178628

0 1
 S   -1.885500     -0.9789000      2.4000000E-02
 S   0.3791000       1.600900      0.1445000    
 S    1.338500      -1.591600       1.045400    
 P  -0.2428000     -0.2012000       1.038600    
 O   -2.320800      -2.125100      0.7967000    
 O   -1.480800      -1.112300      -1.361000    
 O  -0.6632000      6.9499999E-02   2.461700    
 C   -3.159500      0.2483000      0.1045000    
 C   -4.469200     -0.2747000     -0.4651000    
 C   -5.561600      0.7915000     -0.4132000    
 C    1.763900       2.190800       1.138100    
 C    1.786400      -1.865700     -0.6789000    
 C    2.348000       3.507400      0.6265000    
 C    2.933200      -2.862100     -0.8469000    
 C    2.924400       3.415700     -0.7891000    
 C    4.242300      -2.409000     -0.1949000    
 C   -6.883300      0.2615000     -0.9457000    
 C    3.580400       4.723900      -1.204600    
 C    5.370400      -3.388900     -0.4806000    
 H   -2.809700       1.123400     -0.4506000    
 H   -3.278600      0.5192000       1.158100    
 H   -4.321000     -0.6000000      -1.502100    
 H   -4.792900      -1.159000      9.7300000E-02
 H   -5.702100       1.131100      0.6197000    
 H   -5.258400       1.664200      -1.003300    
 H    1.416500       2.323200       2.167800    
 H    2.542400       1.421300       1.150300    
 H   0.9096000      -2.246900      -1.209300    
 H    2.056800     -0.9067000      -1.131900    
 H    1.583300       4.293500      0.6645000    
 H    3.143600       3.816600       1.316200    
 H    3.101600      -3.008100      -1.921500    
 H    2.638800      -3.840000     -0.4447000    
 H    2.140800       3.178600      -1.516100    
 H    3.667600       2.611300     -0.8358000    
 H    4.129500      -2.322600      0.8907000    
 H    4.522600      -1.419300     -0.5740000    
 H   -7.231200     -0.5914000     -0.3542000    
 H   -7.650100       1.041200     -0.9007000    
 H   -6.785800     -5.9500001E-02  -1.987700    
 H    3.986700       4.639100      -2.217300    
 H    4.402700       4.982700     -0.5299000    
 H    2.856800       5.545300      -1.196300    
 H    6.297000      -3.048300     -7.8999996E-03
 H    5.551100      -3.476900      -1.556600    
 H    5.134400      -4.383400     -8.8600002E-02


%chk=000178628-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178628

0 1
S -1.279260 -0.801792 0.853973
S 1.942465 1.012162 -0.208380
S 2.233248 -2.348403 1.492562
P 1.280611 -0.267604 1.651018
O -2.338508 -1.299653 2.003659
O -0.988844 -1.773350 -0.444368
O 1.524448 0.505888 3.032284
C -1.993980 0.877474 0.145209
C -3.280103 0.592171 -0.629277
C -3.879020 1.910832 -1.188782
C 2.292660 2.610004 0.785075
C 2.203493 -2.597267 -0.415567
C 1.079907 3.548802 0.858667
C 2.898246 -3.931302 -0.737837
C 0.617943 4.106313 -0.505263
C 4.403951 -3.982216 -0.390180
C -5.176929 1.650153 -1.984127
C -0.643271 4.988637 -0.389324
C 5.054234 -5.317755 -0.808528
H -1.169884 1.267269 -0.474697
H -2.144627 1.481409 1.055653
H -3.067374 -0.102833 -1.463326
H -4.017965 0.102986 0.034525
H -4.089613 2.607530 -0.352673
H -3.134636 2.410096 -1.841039
H 2.617995 2.290857 1.790583
H 3.145640 3.064913 0.250690
H 1.143454 -2.595160 -0.713012
H 2.737723 -1.740146 -0.860516
H 0.243181 3.025351 1.362718
H 1.356070 4.394679 1.523204
H 2.769606 -4.094750 -1.828387
H 2.364486 -4.762660 -0.236767
H 0.423729 3.262411 -1.197831
H 1.443487 4.693869 -0.955911
H 4.539229 -3.827271 0.698594
H 4.921662 -3.138876 -0.890422
H -5.943939 1.173562 -1.346306
H -5.598596 2.593887 -2.374657
H -4.988756 0.980516 -2.843519
H -0.941351 5.395853 -1.372483
H -0.471741 5.843176 0.291867
H -1.498776 4.410480 0.010154
H 6.128852 -5.338731 -0.552194
H 4.963627 -5.481080 -1.899265
H 4.569129 -6.171831 -0.299694


