%chk=000172263.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172263

0 1
 S    4.978100       2.184800      8.9900002E-02
 O    4.164500       3.518000     -0.3810000    
 O    6.375800       2.339600     -0.2731000    
 O    4.580500       1.852300       1.446600    
 C   -2.584800      0.1223000      0.4643000    
 C   -3.854100     -0.1963000     -0.3331000    
 C   -1.269300     -0.3738000     -0.1490000    
 C   -5.141900      0.2376000      0.3711000    
 C  -8.1000002E-03 -0.1144000      0.6811000    
 C   -6.408200     -0.1562000     -0.3984000    
 C    1.267600     -0.6838000      5.1399998E-02
 C   -7.695500      0.2965000      0.2984000    
 C    2.518900     -0.3997000      0.8922000    
 C   -8.968200     -0.1449000     -0.4299000    
 C    3.772300      -1.025600      0.3307000    
 C   -10.25090      0.3319000      0.2523000    
 C    4.575400     -0.3346000     -0.5769000    
 C    4.219400       1.045800      -1.021700    
 C    4.124100      -2.314200      0.7325000    
 C   -11.48580     -0.1206000     -0.5119000    
 C    5.730100     -0.9323000      -1.082200    
 C    5.278800      -2.911800      0.2270000    
 C    6.081600      -2.220800     -0.6803000    
 H   -2.519000       1.208200      0.6068000    
 H   -2.682800     -0.3150000       1.466100    
 H   -3.793600      0.2889000      -1.314700    
 H   -3.894000      -1.277100     -0.5166000    
 H   -1.355700      -1.453800     -0.3240000    
 H   -1.146300      8.9800000E-02  -1.135800    
 H   -5.177000     -0.2125000       1.370800    
 H   -5.125800       1.325100      0.5127000    
 H   0.1083000      0.9673000      0.8214000    
 H  -0.1415000     -0.5506000       1.678600    
 H   -6.428700      -1.245900     -0.5223000    
 H   -6.371100      0.2782000      -1.404900    
 H    1.149200      -1.768000     -7.2300002E-02
 H    1.388900     -0.2714000     -0.9572000    
 H   -7.689900       1.390000      0.3862000    
 H   -7.712300     -0.1031000       1.319900    
 H    2.606400      0.6772000       1.037300    
 H    2.361700     -0.7951000       1.905400    
 H   -8.942100      0.2375000      -1.457800    
 H   -8.979700      -1.239700     -0.4999000    
 H   -10.29450     -5.9099998E-02   1.275300    
 H   -10.24980       1.425800      0.3219000    
 H    3.143300       1.226700      -1.046100    
 H    4.599100       1.252900      -2.028300    
 H    3.506800      -2.865300       1.437000    
 H   -11.48620      0.2811000      -1.530200    
 H   -11.53130      -1.212600     -0.5727000    
 H   -12.39220      0.2296000     -8.2999999E-03
 H    6.366000     -0.4060000      -1.789300    
 H    5.552300      -3.915400      0.5395000    
 H    6.980600      -2.686200      -1.073700    
 H    3.214500       3.549600     -0.1185000    


%chk=000172263-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000172263

0 1
S 4.862502 2.468270 0.089075
O 4.007457 3.801910 -0.923984
O 6.465051 2.607203 -0.085684
O 4.236590 2.456121 1.584194
C -2.597758 -0.121336 0.621318
C -3.873574 -0.465222 -0.179734
C -1.304172 -0.668632 -0.023048
C -5.165841 0.090825 0.459549
C -0.032405 -0.336599 0.789293
C -6.443176 -0.259281 -0.336550
C 1.261175 -0.873363 0.138377
C -7.734977 0.302128 0.299285
C 2.527615 -0.560859 0.987358
C -9.012776 -0.049500 -0.495529
C 3.807832 -1.078691 0.349905
C -10.304251 0.515237 0.139061
C 4.537933 -0.328063 -0.629548
C 4.088616 1.010417 -1.075950
C 4.295440 -2.361857 0.699437
C -11.575522 0.160943 -0.662567
C 5.728795 -0.862901 -1.197782
C 5.469998 -2.892667 0.121705
C 6.195614 -2.138651 -0.830634
H -2.516749 0.980892 0.725894
H -2.692855 -0.524246 1.651512
H -3.776254 -0.068762 -1.212293
H -3.958483 -1.567984 -0.277696
H -1.389174 -1.769613 -0.137920
H -1.203967 -0.256236 -1.049017
H -5.260665 -0.300590 1.494273
H -5.083120 1.194153 0.552092
H 0.048142 0.763072 0.915882
H -0.129961 -0.758859 1.811326
H -6.528342 -1.362808 -0.425392
H -6.346877 0.128412 -1.372553
H 1.181969 -1.970021 -0.004237
H 1.371750 -0.440683 -0.877778
H -7.650447 1.405852 0.386405
H -7.830868 -0.083946 1.335978
H 2.590031 0.527163 1.177833
H 2.404003 -1.033601 1.980354
H -8.917686 0.334934 -1.532919
H -9.100300 -1.153147 -0.581025
H -10.399175 0.130052 1.175025
H -10.215070 1.617622 0.225144
H 3.022576 1.247829 -0.967611
H 4.486390 1.343855 -2.044940
H 3.748536 -2.948183 1.447143
H -11.518350 0.561385 -1.692550
H -11.703948 -0.935631 -0.737022
H -12.484001 0.576156 -0.188462
H 6.288106 -0.263659 -1.925669
H 5.824302 -3.885802 0.419561
H 7.113078 -2.539736 -1.273303
H 4.251144 4.687596 -0.529281


