%chk=000081400.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081400

0 1
 S   0.1531000      -1.075000     -0.3829000    
 O  -0.7707000      0.1224000      0.2440000    
 O   3.8699999E-02  -2.273400      0.4222000    
 O   3.8300000E-02  -1.074900      -1.826700    
 O   0.4507000       2.046500     -0.5883000    
 O    2.338900       3.098900     -0.2062000    
 N    2.809600      -1.287300      0.3078000    
 N    3.633100      0.7751000      0.3295000    
 N    1.675900       2.025000     -0.2774000    
 C    1.794800     -0.4571000     -2.4400000E-02
 C    2.303400      0.8016000     -9.2000002E-03
 C    3.906300     -0.4974000      0.5143000    
 C    2.780000      -2.725700      0.4290000    
 C   -2.130900      0.1043000      0.2119000    
 C   -2.801000     -0.9692000     -0.3749000    
 C   -2.855400       1.160400      0.7647000    
 C   -4.195300     -0.9866000     -0.4087000    
 C   -4.249700       1.142900      0.7310000    
 C   -4.919800      6.9399998E-02  0.1443000    
 H    4.870400     -0.8985000      0.7963000    
 H    3.807900      -3.097900      0.4738000    
 H    2.265300      -2.990800       1.355100    
 H    2.294600      -3.154600     -0.4505000    
 H   -2.297200      -1.819700     -0.8196000    
 H   -2.338800       1.999500       1.222700    
 H   -4.718000      -1.822300     -0.8650000    
 H   -4.813700       1.965200       1.161500    
 H   -6.005400      5.5700000E-02  0.1180000    


%chk=000081400-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081400

0 1
S 0.267073 -1.102101 -0.787188
O -0.962170 -0.464608 0.767742
O 0.384468 -2.731747 -0.733343
O -0.051825 -0.407940 -2.218463
O 0.368973 1.993230 -0.345309
O 1.805927 3.051191 1.088936
N 2.961647 -1.278147 0.240061
N 3.484719 0.801341 1.015375
N 1.424401 2.034228 0.407451
C 1.865217 -0.453577 -0.034858
C 2.219202 0.815624 0.459037
C 3.908132 -0.468654 0.866991
C 3.166023 -2.709007 -0.079029
C -2.269326 -0.210798 0.437620
C -3.251349 -1.231116 0.646136
C -2.653176 1.078423 -0.049683
C -4.607757 -0.941538 0.419402
C -4.015290 1.348854 -0.274157
C -4.991556 0.346035 -0.041792
H 4.878105 -0.845346 1.182557
H 4.166616 -2.991285 0.284319
H 2.393636 -3.324013 0.404119
H 3.107726 -2.874102 -1.165987
H -2.920502 -2.212710 1.000767
H -1.873028 1.824096 -0.229531
H -5.369254 -1.708932 0.593853
H -4.322000 2.335441 -0.636823
H -6.049530 0.563657 -0.225902


