%chk=000048942.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048942

0 1
 S    1.326100       1.544500      -1.333500    
 O   0.3220000      -1.729700     -0.1826000    
 O    1.739100      -2.009900      -1.975000    
 N   -2.420700      -1.286000      0.3652000    
 C   -3.516500      -1.366600       1.341300    
 C   -2.864500     -0.6432000     -0.8797000    
 C   -4.058600      2.3300000E-02   1.678300    
 C   -3.385600      0.7702000     -0.6154000    
 C   -4.502200      0.7649000      0.4224000    
 C   -1.882300      -2.617800      8.9500003E-02
 C  -0.6671000      -2.527700     -0.8197000    
 C    1.481900      -1.550500     -0.8731000    
 C    2.427800     -0.7043000     -0.1026000    
 C    2.436600      0.6703000     -0.2362000    
 C    3.295200      -1.360500      0.7515000    
 C   0.4324000       2.610800     -0.1701000    
 C  -0.5919000       3.465800     -0.9076000    
 C    3.346100       1.418400      0.5117000    
 C    4.204700     -0.6124000       1.499200    
 C    4.230100      0.7769000       1.379300    
 C   -1.352800       4.363400      5.7200000E-02
 H   -3.154700      -1.824500       2.270000    
 H   -4.331500      -1.997400      0.9625000    
 H   -3.643000      -1.238200      -1.374900    
 H   -2.042200     -0.5168000      -1.589300    
 H   -4.902200     -6.6299997E-02   2.372000    
 H   -3.282700      0.6057000       2.191500    
 H   -2.565400       1.393500     -0.2451000    
 H   -3.743500       1.220100      -1.547900    
 H   -5.390000      0.2763000      2.4999999E-03
 H   -4.787100       1.792400      0.6735000    
 H   -2.637100      -3.274800     -0.3602000    
 H   -1.565200      -3.073500       1.036100    
 H  -0.2621000      -3.540600     -0.9420000    
 H  -0.8928000      -2.155200      -1.823500    
 H    3.282200      -2.442200      0.8509000    
 H    1.139800       3.260300      0.3551000    
 H  -6.6799998E-02   1.980500      0.5739000    
 H  -8.8000000E-02   4.101300      -1.646600    
 H   -1.303100       2.839800      -1.456900    
 H    3.396700       2.501200      0.4293000    
 H    4.893400      -1.111800       2.174300    
 H    4.940300       1.358900       1.959500    
 H  -0.6720000       5.037600      0.5867000    
 H   -2.079900       4.973900     -0.4872000    
 H   -1.896000       3.770000      0.7996000    


%chk=000048942-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048942

0 1
S 1.796300 1.717349 -1.237558
O 0.497961 -0.942358 -0.803658
O 1.425136 -2.747042 0.320356
N -2.551327 -0.856431 -0.010846
C -3.217665 -0.883801 1.320888
C -3.552909 -0.721869 -1.103170
C -4.049617 0.392279 1.558910
C -4.393914 0.560114 -0.945016
C -5.091067 0.588988 0.433805
C -1.682111 -2.042364 -0.205100
C -0.590829 -1.852299 -1.266778
C 1.487559 -1.535912 -0.030301
C 2.638137 -0.637290 0.315793
C 2.876878 0.698339 -0.141461
C 3.613302 -1.258051 1.152301
C 0.273119 2.048233 -0.130598
C -0.384092 3.361945 -0.590998
C 4.094652 1.335359 0.218854
C 4.806302 -0.608558 1.512026
C 5.055784 0.696587 1.029196
C -1.605316 3.719337 0.287116
H -2.434584 -0.977348 2.096174
H -3.889545 -1.778851 1.414662
H -4.239798 -1.611227 -1.115488
H -3.026053 -0.704263 -2.074812
H -4.546793 0.325607 2.545645
H -3.365731 1.262238 1.587613
H -3.728127 1.439130 -1.045902
H -5.139130 0.611620 -1.761951
H -5.842381 -0.226493 0.482005
H -5.638264 1.540322 0.573337
H -2.280746 -2.944798 -0.499485
H -1.191518 -2.292408 0.751823
H -0.143535 -2.830430 -1.518283
H -0.966941 -1.357316 -2.175504
H 3.403844 -2.278532 1.488554
H 0.645881 2.132504 0.905094
H -0.405958 1.185143 -0.213941
H 0.358768 4.181659 -0.552620
H -0.701965 3.267467 -1.648197
H 4.267925 2.355117 -0.138413
H 5.535227 -1.114749 2.153509
H 5.982113 1.220232 1.290179
H -1.309372 3.854614 1.344380
H -2.075508 4.658682 -0.056795
H -2.367194 2.919624 0.248557


