%chk=000070676.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070676

0 1
 S    3.483100      -1.356900      0.6756000    
 O   -1.036400      -3.142000      3.3100002E-02
 O  -0.2805000      0.2815000       3.189600    
 O    3.701500      -2.686100      0.1312000    
 O    4.082000     -0.9791000       1.944300    
 N   -1.796200     -0.8954000      0.2486000    
 N   -1.481200      0.1613000       1.137200    
 C  -0.4001000      -1.755700       1.902100    
 C    1.097400      -1.988100       1.814300    
 C    1.746000      -1.068900      0.7914000    
 C   -1.075100      -2.051400      0.5834000    
 C  -0.7188000     -0.3129000       2.215900    
 C   -2.958600     -0.9297000     -0.5798000    
 C   -1.529500       1.545300      0.7885000    
 C    4.028400     -0.2029000     -0.5482000    
 C   -3.087500      -1.910100      -1.565900    
 C   -1.376800       2.522600       1.774600    
 C   -3.970600      1.7200001E-02 -0.4071000    
 C   -1.730200       1.927300     -0.5400000    
 C    4.430600       1.060900     -0.1529000    
 C    4.043000     -0.5854000      -1.878200    
 C   -4.223100      -1.943400      -2.375400    
 C   -1.424400       3.874400       1.434100    
 C   -5.106200     -1.6300000E-02  -1.216400    
 C   -1.777500       3.279100     -0.8806000    
 C   -5.232400     -0.9967000      -2.200600    
 C   -1.624600       4.252700      0.1065000    
 C    4.861100       1.971000      -1.118300    
 C    4.473700      0.3247000      -2.843400    
 C    4.882900       1.602900      -2.463600    
 H  -0.8570000      -2.385300       2.673300    
 H    1.296800      -3.034600       1.552500    
 H    1.553400      -1.821400       2.798200    
 H    1.333600      -1.229100     -0.2098000    
 H    1.623800     -1.5400000E-02   1.061100    
 H   -2.314200      -2.638800      -1.778400    
 H   -1.269600       2.288300       2.827100    
 H   -3.963700      0.7491000      0.3937000    
 H   -1.769700       1.218100      -1.359700    
 H    4.413700       1.368100      0.8882000    
 H    3.720700      -1.572500      -2.194700    
 H   -4.317500      -2.700000      -3.148900    
 H   -1.316100       4.633200       2.203600    
 H   -5.900500      0.7096000      -1.069000    
 H   -1.914700       3.574300      -1.916800    
 H   -6.117200      -1.023700      -2.829700    
 H   -1.659700       5.305200     -0.1588000    
 H    5.177700       2.967100     -0.8230000    
 H    4.488400      3.9000001E-02  -3.891200    
 H    5.217100       2.311900      -3.215300    


%chk=000070676-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070676

0 1
S 3.727536 -1.629390 0.448989
O -1.293265 -3.112025 -0.011336
O -0.009733 0.642023 2.776416
O 3.842654 -3.039788 -0.375336
O 4.279151 -1.476604 1.984240
N -1.985216 -0.853869 0.226246
N -1.614163 0.263862 1.071335
C -0.332518 -1.617513 1.750327
C 1.174675 -1.952937 1.604729
C 1.840476 -1.147749 0.487835
C -1.206328 -1.992509 0.549456
C -0.607877 -0.130161 1.986653
C -3.272034 -0.890276 -0.418783
C -1.811597 1.617601 0.618641
C 4.539463 -0.274494 -0.604491
C -3.431888 -1.698234 -1.572369
C -1.918092 2.644562 1.588628
C -4.366361 -0.158298 0.106366
C -1.863023 1.922525 -0.764437
C 4.993961 0.884659 0.044978
C 4.704838 -0.526259 -1.975679
C -4.698453 -1.774688 -2.190372
C -2.066106 3.982221 1.164131
C -5.620905 -0.234416 -0.533791
C -2.027758 3.263282 -1.171127
C -5.795173 -1.042127 -1.681312
C -2.126892 4.298290 -0.212693
C 5.628107 1.870195 -0.747636
C 5.342695 0.471109 -2.750486
C 5.795072 1.664382 -2.138237
H -0.713022 -2.200990 2.613006
H 1.263831 -3.034919 1.398327
H 1.679739 -1.734362 2.562520
H 1.494739 -1.400153 -0.527306
H 1.838745 -0.061268 0.672339
H -2.586003 -2.270364 -1.959084
H -1.866254 2.398361 2.651551
H -4.240669 0.457756 1.001066
H -1.778776 1.126542 -1.509738
H 4.881705 0.996207 1.128836
H 4.374088 -1.477406 -2.406830
H -4.823038 -2.406723 -3.076097
H -2.140016 4.776569 1.914447
H -6.464546 0.334755 -0.128811
H -2.073845 3.497534 -2.240106
H -6.772698 -1.099663 -2.171504
H -2.251746 5.337364 -0.535095
H 5.997053 2.788349 -0.278821
H 5.493056 0.311747 -3.823336
H 6.291713 2.430289 -2.743848


