%chk=000117316.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117316

0 1
 S  -7.8800000E-02   1.938000     -0.6432000    
 O    1.547700       1.875300     -0.7652000    
 O    3.786900     -0.9937000       1.796500    
 O  -0.5942000       1.130700      -1.963800    
 O  -0.4568000       1.158300      0.5207000    
 O  -0.5099000       3.318000     -0.7674000    
 N    3.617800     -1.8800000E-02 -0.3067000    
 C   -1.506200      -2.409200      0.1655000    
 C   -2.819200      -2.530900     -0.6106000    
 C  -0.2981000      -2.533500     -0.7655000    
 C   -4.064000      -2.405400      0.2733000    
 C    1.014800      -2.379400      4.1000000E-03
 C   -4.197500      -1.093400       1.054200    
 C    2.223200      -2.535900     -0.9195000    
 C   -4.314100      0.1385000      0.1532000    
 C    3.533700      -2.415400     -0.1452000    
 C   -4.440100       1.447900      0.9360000    
 C    3.660900      -1.086200      0.5785000    
 C    3.718700       1.360900      0.1111000    
 C   -4.629400       2.668300      4.8000000E-02
 C    2.346600       1.953200      0.4136000    
 C    2.458100       3.412700      0.8324000    
 H   -1.461800      -3.186600      0.9376000    
 H   -1.457300      -1.442100      0.6755000    
 H   -2.849900      -3.507900      -1.109400    
 H   -2.851300      -1.780000      -1.408300    
 H  -0.3552000      -1.768300      -1.548800    
 H  -0.3204000      -3.509700      -1.264800    
 H   -4.952800      -2.537900     -0.3560000    
 H   -4.069200      -3.234800      0.9916000    
 H    1.062600      -3.132100      0.8007000    
 H    1.026600      -1.396300      0.4880000    
 H   -5.097600      -1.158200       1.678700    
 H   -3.356800     -0.9738000       1.746200    
 H    2.170800      -1.794100      -1.724200    
 H    2.191400      -3.521000      -1.400700    
 H   -3.434100      0.2124000     -0.4953000    
 H   -5.185300      2.3000000E-02 -0.5032000    
 H    3.610300      -3.218700      0.5967000    
 H    4.383800      -2.520700     -0.8289000    
 H   -5.290900       1.379300       1.624300    
 H   -3.543700       1.590600       1.551100    
 H    4.195200       1.896800     -0.7174000    
 H    4.371500       1.423900      0.9884000    
 H   -3.780300       2.790100     -0.6320000    
 H   -4.711100       3.573600      0.6575000    
 H   -5.540100       2.577100     -0.5522000    
 H    3.542300     -0.1965000      -1.303400    
 H    1.886600       1.371500       1.220800    
 H    2.834600       4.030000      9.3999999E-03
 H    1.479500       3.817300       1.109700    
 H    3.126200       3.527700       1.691700    
 H   -1.571500       1.022400      -2.037000    


%chk=000117316-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117316

0 1
S -0.413824 2.043739 0.284015
O 1.323929 2.023025 -0.295205
O 4.715991 -0.932750 1.077525
O -0.987400 1.320630 -1.290062
O -0.593760 0.994824 1.493479
O -1.018618 3.527782 0.429229
N 3.398248 0.072866 -0.543448
C -1.434008 -2.475413 0.279478
C -2.833468 -2.682033 -0.345655
C -0.292384 -2.679605 -0.741929
C -4.013774 -2.343488 0.600811
C 1.114003 -2.498428 -0.128685
C -4.104010 -0.857344 1.034659
C 2.244042 -2.592719 -1.179258
C -4.309327 0.132845 -0.134775
C 3.665018 -2.399103 -0.593508
C -4.420228 1.604047 0.327903
C 3.960488 -1.044947 0.061435
C 3.582094 1.408530 0.019868
C -4.579839 2.605553 -0.836492
C 2.345598 1.901004 0.808076
C 2.550970 3.242715 1.511177
H -1.305613 -3.176172 1.130879
H -1.350240 -1.454313 0.699834
H -2.928800 -3.738578 -0.671410
H -2.908773 -2.073036 -1.269947
H -0.423199 -1.950644 -1.569440
H -0.372068 -3.689743 -1.196630
H -4.964962 -2.628355 0.104480
H -3.935099 -2.974914 1.509941
H 1.281652 -3.265047 0.655442
H 1.158760 -1.516509 0.384990
H -4.949265 -0.746460 1.745149
H -3.192423 -0.569768 1.595624
H 2.051577 -1.866049 -1.998108
H 2.207513 -3.589043 -1.663581
H -3.466118 0.033505 -0.851789
H -5.222504 -0.144961 -0.701814
H 3.863782 -3.159073 0.182661
H 4.424209 -2.553665 -1.387257
H -5.288622 1.702459 1.009675
H -3.531599 1.869902 0.936925
H 3.821145 2.139822 -0.773240
H 4.430819 1.346326 0.726611
H -3.730808 2.555908 -1.552371
H -4.629776 3.647111 -0.472573
H -5.496676 2.396347 -1.418423
H 2.731344 -0.040120 -1.308372
H 2.015921 1.109127 1.506987
H 2.858315 4.021578 0.791939
H 1.625315 3.580523 2.010311
H 3.333438 3.144543 2.285183
H -1.954789 1.574566 -1.394015


