%chk=000166784.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166784

0 1
 S    3.358300       2.790200     -3.4000002E-02
 O    1.397400     -0.4752000     -0.2895000    
 O    1.507100      0.9671000       1.505600    
 O    4.524100       3.022100      -1.149500    
 O    3.906000       3.052800       1.281100    
 O    2.135900       3.416900     -0.4943000    
 O    5.237900      -1.908200      0.5489000    
 O    4.312600      -1.380200      -1.455400    
 C   0.1971000      -1.043200      0.2399000    
 C  -0.9967000     -0.2270000     -0.2736000    
 C   -2.366700     -0.6357000      0.2747000    
 C   -3.520600      0.1741000     -0.3216000    
 C   0.1748000      -2.536500     -0.1133000    
 C   -4.891700     -0.2303000      0.2316000    
 C   -6.042700      0.5972000     -0.3469000    
 C    1.414900      -3.309600      0.3468000    
 C   -7.419600      0.1552000      0.1594000    
 C    3.201200       1.034800     -0.2406000    
 C   -8.568900      0.9966000     -0.3968000    
 C    1.952000      0.5311000      0.4522000    
 C    1.326100      -4.777800     -4.2599998E-02
 C    4.437900      0.3130000      0.2952000    
 C   -9.911300      0.5282000      0.1440000    
 C    4.634800      -1.055600     -0.3213000    
 H   0.2079000     -0.9876000       1.337000    
 H  -0.8313000      0.8348000     -4.9699999E-02
 H   -1.013300     -0.2863000      -1.370100    
 H   -2.546900      -1.696100      6.5800004E-02
 H   -2.365100     -0.5211000       1.365400    
 H   -3.522300      5.2299999E-02  -1.411800    
 H   -3.352800       1.239500     -0.1216000    
 H  -0.7162000      -3.005400      0.3192000    
 H   9.4400004E-02  -2.637700      -1.203500    
 H   -4.886800     -0.1255000       1.323400    
 H   -5.065600      -1.291600      1.5400000E-02
 H   -6.024800      0.5251000      -1.441400    
 H   -5.887100       1.653700     -9.6100003E-02
 H    1.520900      -3.226500       1.434400    
 H    2.316600      -2.883200     -0.1027000    
 H   -7.430500      0.2087000       1.255200    
 H   -7.578500     -0.8971000     -0.1074000    
 H    3.073000      0.8883000      -1.320600    
 H   -8.577700      0.9350000      -1.491100    
 H   -8.420200       2.049500     -0.1315000    
 H   0.4525000      -5.253000      0.4148000    
 H    1.251200      -4.892100      -1.128700    
 H    2.219300      -5.313100      0.2945000    
 H    5.356800      0.8734000      8.9199997E-02
 H    4.358600      0.1975000       1.383500    
 H   -9.944100      0.6078000       1.235300    
 H   -10.71960       1.141800     -0.2658000    
 H   -10.10300     -0.5140000     -0.1309000    
 H    4.236000       2.939200      -2.088900    
 H    5.370400      -2.797200      0.1560000    


%chk=000166784-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166784

0 1
S 2.747578 2.068752 -1.013238
O 1.485739 -0.891584 -0.282967
O 1.577490 0.096100 1.840265
O 3.472778 1.274969 -2.524318
O 3.612217 3.389662 -0.653484
O 1.148229 2.206485 -1.184623
O 6.164689 0.620931 2.567012
O 5.651549 -0.902375 0.888379
C 0.131325 -1.526702 0.003036
C -0.950144 -0.494667 -0.366663
C -2.371984 -0.943410 0.046272
C -3.430590 0.151626 -0.216957
C 0.116625 -2.822358 -0.815725
C -4.861402 -0.284254 0.169976
C -5.923476 0.807901 -0.090561
C 1.166864 -3.862803 -0.365393
C -7.356118 0.369903 0.288716
C 3.317491 0.538986 0.165849
C -8.419506 1.461327 0.027909
C 2.034158 -0.092619 0.687502
C 1.099117 -5.162438 -1.194941
C 4.240365 1.106119 1.231662
C -9.847967 1.013884 0.406802
C 5.392127 0.153349 1.505271
H 0.104974 -1.735556 1.091000
H -0.715614 0.463203 0.134615
H -0.910997 -0.300773 -1.455746
H -2.660105 -1.861838 -0.503901
H -2.379297 -1.204346 1.125361
H -3.409470 0.431964 -1.290557
H -3.158075 1.066753 0.347918
H -0.895869 -3.263765 -0.730097
H 0.266872 -2.570596 -1.884280
H -4.881756 -0.565717 1.243740
H -5.132332 -1.200046 -0.396508
H -5.899890 1.093533 -1.163177
H -5.656553 1.722256 0.479553
H 1.011816 -4.098105 0.707550
H 2.177201 -3.419330 -0.449198
H -7.381445 0.084574 1.361433
H -7.624136 -0.544327 -0.281673
H 3.812969 -0.100395 -0.582511
H -8.392098 1.747116 -1.043593
H -8.152157 2.373854 0.599107
H 0.106139 -5.642942 -1.106689
H 1.279548 -4.958377 -2.267119
H 1.858225 -5.891938 -0.859233
H 4.664562 2.083753 0.921801
H 3.682723 1.287767 2.167827
H -9.909654 0.752615 1.480262
H -10.588909 1.810555 0.209882
H -10.149620 0.120668 -0.172513
H 3.287186 1.867562 -3.309002
H 6.920308 -0.005802 2.733265


