%chk=000226471.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226471

0 1
 S    6.636700      0.6699000      0.1089000    
 S   -6.707100      0.8133000      0.6751000    
 O    5.031600      0.9099000      0.3157000    
 O    6.975000      0.8657000      -1.286200    
 O    7.043000     -0.5136000      0.8391000    
 O   -5.861100     -0.1989000     -0.2970000    
 O   -6.409400      0.5165000       2.062000    
 O   -6.648000       2.160000      0.1431000    
 C    2.653600      0.2989000      8.5299999E-02
 C    2.020900      -1.060000     -0.2763000    
 C   0.5213000      -1.094500      1.6899999E-02
 C  -0.1821000     -8.2999999E-03 -0.8524000    
 C    4.123700     -1.2900000E-02 -0.2541000    
 C    2.003700       1.376200     -0.7915000    
 C    2.939400      -2.071600      0.4035000    
 C   0.4698000       1.385500     -0.6458000    
 C    4.338200      -1.438000      0.2926000    
 C  -0.1057000      -2.456600     -0.2861000    
 C    2.519000      0.7025000       1.576000    
 C   -1.696700     -4.7899999E-02 -0.6684000    
 C   -1.564200      -2.466100      0.1614000    
 C   -2.335100      -1.228900     -0.2298000    
 C   -2.500600       1.052800      -1.013800    
 C   -3.734600      -1.261000     -9.7800002E-02
 C   -3.890600       1.004200     -0.8867000    
 C   -4.507700     -0.1507000     -0.4241000    
 C    7.183800       2.094100       1.015500    
 C   -8.316900      0.1593000      0.3151000    
 H    2.137900      -1.224300      -1.360800    
 H   0.3506000     -0.8825000       1.080300    
 H  -1.7899999E-02 -0.2712000      -1.909100    
 H    4.265100     -1.6200000E-02  -1.343300    
 H    2.248800       1.197400      -1.846600    
 H    2.403300       2.367900     -0.5474000    
 H    2.906800      -3.049200     -8.8200003E-02
 H    2.666500      -2.219900       1.454200    
 H   0.1896000       1.783800      0.3369000    
 H   8.3099999E-02   2.097600      -1.384100    
 H    4.807500      -1.446700       1.281700    
 H    4.975800      -2.018200     -0.3836000    
 H   0.4273000      -3.263100      0.2296000    
 H  -4.3099999E-02  -2.668900      -1.361200    
 H    2.995600       1.673200       1.756500    
 H    1.478300      0.7985000       1.896300    
 H    2.994100     -1.7700000E-02   2.249300    
 H   -1.601500      -2.552900       1.255000    
 H   -2.052300      -3.355300     -0.2557000    
 H   -2.063700       1.968300      -1.401100    
 H   -4.223500      -2.164200      0.2618000    
 H   -4.470100       1.873900      -1.180000    
 H    8.275300       2.112500      0.9931000    
 H    6.785100       2.991300      0.5384000    
 H    6.832500       2.013200       2.045800    
 H   -8.513600      0.2718000     -0.7528000    
 H   -8.344600     -0.8925000      0.6062000    
 H   -9.051000      0.7258000      0.8918000    


%chk=000226471-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226471

0 1
S 6.829131 0.695146 0.053285
S -6.815568 0.503905 0.994604
O 5.045272 0.844680 0.615892
O 6.846384 0.492581 -1.556369
O 7.654123 -0.325510 1.000544
O -5.883231 0.063147 -0.762358
O -6.476786 -0.628042 2.113469
O -6.682794 2.078750 1.378759
C 2.672293 0.229115 0.246663
C 2.015193 -1.134871 -0.151445
C 0.489173 -1.121098 0.043151
C -0.116935 0.002316 -0.857222
C 4.160608 -0.158442 -0.011289
C 2.101011 1.333396 -0.670650
C 2.874267 -2.204185 0.575084
C 0.549466 1.386293 -0.597053
C 4.319405 -1.596774 0.571657
C -0.186541 -2.465345 -0.300021
C 2.474304 0.596579 1.741508
C -1.650672 0.023466 -0.779126
C -1.680021 -2.419886 0.079171
C -2.381212 -1.138742 -0.367807
C -2.380182 1.188361 -1.154328
C -3.790978 -1.099172 -0.344097
C -3.782859 1.231168 -1.124351
C -4.500809 0.068112 -0.731368
C 7.264294 2.483429 0.508991
C -8.531266 0.173769 0.246594
H 2.195883 -1.260189 -1.244998
H 0.263293 -0.890904 1.106251
H 0.145163 -0.280586 -1.905083
H 4.353656 -0.151985 -1.104431
H 2.407698 1.129113 -1.718053
H 2.516527 2.322938 -0.399514
H 2.835395 -3.181153 0.063052
H 2.512471 -2.362580 1.608519
H 0.222862 1.769352 0.389112
H 0.200666 2.120732 -1.346723
H 4.739421 -1.535422 1.590927
H 5.022421 -2.195607 -0.032844
H 0.305534 -3.296951 0.238027
H -0.070836 -2.666116 -1.385064
H 3.035239 1.518459 1.973913
H 1.413057 0.774204 1.982856
H 2.844785 -0.193972 2.416571
H -1.773084 -2.500119 1.182202
H -2.213862 -3.295795 -0.336209
H -1.838366 2.084355 -1.471344
H -4.366235 -1.976115 -0.025236
H -4.338184 2.132105 -1.403205
H 8.337229 2.596632 0.301292
H 6.636059 3.118795 -0.127519
H 7.026348 2.588197 1.575431
H -8.633067 0.877729 -0.589029
H -8.515467 -0.871066 -0.087954
H -9.257875 0.356000 1.050363


