%chk=000173434.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173434

0 1
 S   6.0800001E-02 -0.4304000       1.730900    
 O  -0.6936000     -0.6049000      0.2915000    
 O   0.6315000      -1.706400       2.127000    
 O  -0.8257000      0.3091000       2.614600    
 O    5.673200       1.493500     -0.6306000    
 O  -0.4738000      -3.274200     -0.3539000    
 O   -2.755500      -4.802900     -0.7001000    
 O   -3.271200      0.9795000       1.803200    
 N    5.821800      -1.040800      -1.663700    
 N    6.661300      -1.389800      -2.256800    
 C    1.425500      0.6197000       1.379600    
 C    2.528900      0.2043000      0.6164000    
 C    3.586000       1.113900      0.3762000    
 C    1.365300       1.913500       1.898300    
 C    2.605900      -1.094000      8.6400002E-02
 C    3.508700       2.412200      0.9060000    
 C   -1.827000      -1.362000      0.1206000    
 C    4.689300      0.6985000     -0.3870000    
 C    2.405000       2.808100       1.661900    
 C   -3.080000     -0.7798000      0.2740000    
 C    3.709800      -1.489700     -0.6697000    
 C    4.749400     -0.5952000     -0.9059000    
 C   -1.705300      -2.708100     -0.2052000    
 C   -3.221900      0.6288000      0.6160000    
 C   -4.227000      -1.554000      9.8999999E-02
 C   -2.852300      -3.482400     -0.3803000    
 C   -3.312700       1.697600     -0.4224000    
 C   -4.113100      -2.905200     -0.2283000    
 C   -3.260700       1.333900      -1.748300    
 C   -3.445100       3.004300     -1.2600000E-02
 C   -3.345900       2.332600      -2.718400    
 C   -3.530600       4.003000     -0.9827000    
 C   -3.481000       3.667200      -2.335600    
 H   0.5247000       2.266900       2.487400    
 H    1.822700      -1.833600      0.1849000    
 H    4.291400       3.151700      0.7524000    
 H    2.356900       3.815600       2.064800    
 H    3.743800      -2.496400      -1.078500    
 H   -5.215100      -1.116000      0.2152000    
 H   -5.010500      -3.502900     -0.3633000    
 H   -3.155800      0.3083000      -2.084600    
 H   -3.485300       3.289900       1.033800    
 H   -3.307000       2.071700      -3.772000    
 H   -3.635400       5.042300     -0.6849000    
 H  -0.5416000      -4.060400     -0.9196000    
 H   -3.547300       4.444800      -3.090900    
 H   -1.887200      -5.141700     -0.4284000    


%chk=000173434-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173434

0 1
S -0.199343 -0.096056 1.865576
O -0.988155 -0.508056 0.001298
O 0.310156 -1.481005 2.548913
O -1.203667 0.865181 2.708965
O 5.428168 1.597004 -1.132379
O -0.333926 -3.198322 -0.317206
O -2.198182 -5.100425 -0.437748
O -4.885878 0.520284 1.067188
N 5.462494 -1.070308 -1.852685
N 6.433140 -1.287921 -2.479075
C 1.224442 0.960487 1.207040
C 2.264617 0.380618 0.427025
C 3.314918 1.288098 0.034516
C 1.150797 2.311356 1.562094
C 2.296855 -1.011565 0.014028
C 3.268866 2.658669 0.401280
C -1.998386 -1.430492 -0.038248
C 4.477515 0.829081 -0.773538
C 2.198852 3.173335 1.151587
C -3.385515 -1.057106 0.080306
C 3.344605 -1.491893 -0.739097
C 4.429522 -0.620244 -1.128360
C -1.663143 -2.810596 -0.207627
C -3.868270 0.354381 0.323164
C -4.373516 -2.066137 0.042134
C -2.688110 -3.790069 -0.263972
C -3.223671 1.533401 -0.338735
C -4.040174 -3.427890 -0.136129
C -2.534324 1.431292 -1.575330
C -3.388270 2.808559 0.265215
C -2.019121 2.587607 -2.198039
C -2.856665 3.960275 -0.347818
C -2.172600 3.852871 -1.583622
H 0.301463 2.677794 2.147870
H 1.472993 -1.680547 0.272686
H 4.094802 3.298045 0.074093
H 2.168106 4.232018 1.424994
H 3.366746 -2.537850 -1.059490
H -5.417514 -1.765443 0.167914
H -4.828174 -4.189436 -0.169211
H -2.408185 0.454411 -2.052680
H -3.932495 2.868223 1.213103
H -1.496143 2.503631 -3.156899
H -2.976288 4.939194 0.129465
H -0.298793 -4.192332 -0.363555
H -1.764789 4.748983 -2.065322
H -2.911459 -5.781004 -0.397290


