%chk=000062751.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062751

0 1
 S    2.216600      0.6152000      -1.406500    
 N  -0.7499000     -0.6311000     -2.1800000E-02
 C  -0.2105000      0.7284000     -4.9000001E-03
 C  -0.7613000       1.446200      -1.270300    
 C  -0.7591000       1.471400       1.246900    
 C   -2.282100       1.625000      -1.274000    
 C   -2.278200       1.664500       1.241800    
 C  -0.2559000      -1.365500      -1.195100    
 C  -0.4134000      -1.333200       1.224700    
 C   -2.759100       2.355900     -2.6400000E-02
 C    1.329000      0.6696000      5.2200001E-02
 C  -0.8493000      -2.773800      -1.254500    
 C   -1.012100      -2.740500       1.244400    
 C  -0.5707000      -3.547800      2.8999999E-02
 C    2.137400      0.6528000       1.161100    
 C    3.516800      0.5942000      0.8091000    
 C    3.701800      0.5687000     -0.5557000    
 H  -0.4576000       1.016700      -2.228400    
 H  -0.3230000       2.456500      -1.293500    
 H  -0.3119000       2.478100       1.254700    
 H  -0.4489000       1.052300       2.208500    
 H   -2.779200      0.6510000      -1.350700    
 H   -2.577100       2.197800      -2.161100    
 H   -2.568700       2.265700       2.111400    
 H   -2.781800      0.6967000       1.349500    
 H   0.8216000      -1.538700      -1.170500    
 H  -0.5252000     -0.9094000      -2.149100    
 H  -0.8342000     -0.8532000       2.110700    
 H   0.6636000      -1.450600       1.378100    
 H   -2.388300       3.388200     -4.2900000E-02
 H   -3.853500       2.411600     -2.5599999E-02
 H  -0.4332000      -3.319000      -2.109700    
 H   -1.933300      -2.709200      -1.414100    
 H   -2.107600      -2.673900       1.259700    
 H  -0.7116000      -3.260900       2.161200    
 H   -1.091900      -4.511100      7.8999996E-03
 H   0.5024000      -3.763200      0.1021000    
 H    1.786500      0.6795000       2.184100    
 H    4.331900      0.5716000       1.520600    
 H    4.638100      0.5246000      -1.093800    


%chk=000062751-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000062751

0 1
S 2.444750 0.498577 -1.339838
N -0.603445 -0.693846 0.010105
C -0.127245 0.748453 0.024700
C -0.628883 1.512118 -1.243789
C -0.767010 1.481884 1.253325
C -2.169662 1.549983 -1.358772
C -2.309810 1.502831 1.183097
C -0.454597 -1.451430 -1.260868
C -0.124661 -1.517481 1.154472
C -2.805261 2.197180 -0.106031
C 1.398966 0.837048 0.119579
C -1.290245 -2.751341 -1.218604
C -0.946774 -2.818325 1.281527
C -0.877591 -3.639549 -0.025050
C 2.211064 1.064149 1.224567
C 3.628646 0.987157 0.963450
C 3.932058 0.692614 -0.354367
H -0.176851 1.096621 -2.163656
H -0.243827 2.547606 -1.161445
H -0.378372 2.519590 1.258587
H -0.444326 1.022530 2.205164
H -2.562882 0.521964 -1.474675
H -2.455037 2.115425 -2.267669
H -2.711760 2.021055 2.075952
H -2.681744 0.461241 1.203609
H 0.614049 -1.716570 -1.463489
H -0.804020 -0.833682 -2.103463
H -0.217530 -0.936507 2.086960
H 0.956735 -1.778336 1.039641
H -2.531338 3.272613 -0.071736
H -3.909677 2.148277 -0.168166
H -1.159963 -3.294828 -2.174842
H -2.361167 -2.482664 -1.127585
H -2.000902 -2.557189 1.500041
H -0.562461 -3.409205 2.135902
H -1.525458 -4.534414 0.039097
H 0.160856 -4.000496 -0.177535
H 1.806634 1.294218 2.213043
H 4.392081 1.148275 1.728933
H 4.903757 0.575551 -0.831071


