%chk=000048221.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048221

0 1
 S   -1.030800      -1.269900      -1.156100    
 O   0.5546000      0.7611000       1.539400    
 N    1.150600      0.9007000     -0.6828000    
 C   -1.162200      0.2691000     -0.1377000    
 C   -2.104900     -8.8999998E-03   1.065100    
 C   -1.780700       1.393500      -1.012900    
 C   0.2518000      0.6633000      0.3501000    
 C   -3.513600     -0.4820000      0.7114000    
 C   -1.916800       2.759600     -0.3435000    
 C  -0.3298000      -2.330000      0.1223000    
 C    2.521200       1.283700     -0.4369000    
 C  -9.1300003E-02  -3.727800     -0.4163000    
 C    3.361000      5.3700000E-02 -0.3382000    
 C    4.091200     -0.2662000      0.7361000    
 H   -1.659100     -0.7074000       1.780800    
 H   -2.205800      0.9101000       1.657700    
 H   -1.160900       1.546500      -1.906800    
 H   -2.763200       1.099200      -1.400400    
 H   -3.518600      -1.440400      0.1863000    
 H   -4.085900     -0.6249000       1.635200    
 H   -4.060100      0.2522000      0.1144000    
 H  -0.9601000       3.114200      5.0600000E-02
 H   -2.267900       3.496000      -1.074300    
 H   -2.645100       2.739300      0.4717000    
 H   -1.014300      -2.437100      0.9652000    
 H   0.6211000      -1.930400      0.4842000    
 H   0.8605000      0.7533000      -1.644700    
 H    2.850500       1.891600      -1.285200    
 H    2.575500       1.897100      0.4687000    
 H   -1.023000      -4.194400     -0.7546000    
 H   0.6182000      -3.721100      -1.250900    
 H   0.3301000      -4.364400      0.3690000    
 H    3.386300     -0.6102000      -1.198800    
 H    4.686900      -1.172300      0.7453000    
 H    4.107000      0.3630000       1.619200    


%chk=000048221-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048221

0 1
S -1.182466 -1.262777 -1.174628
O 0.415927 1.480112 1.330823
N 1.153050 0.606902 -0.698343
C -1.254871 0.356512 -0.102110
C -2.060695 0.116153 1.198582
C -1.914937 1.400070 -1.061879
C 0.183276 0.841183 0.255893
C -3.543773 -0.246978 0.992855
C -2.119088 2.795497 -0.430084
C -0.322538 -2.467916 0.019992
C 2.555421 1.028350 -0.516177
C 0.139148 -3.707538 -0.760935
C 3.472356 -0.133691 -0.164518
C 4.133116 -0.251721 1.013341
H -1.557932 -0.675535 1.785716
H -1.966090 1.030561 1.812727
H -1.283840 1.494202 -1.966904
H -2.889746 0.997010 -1.395649
H -3.652830 -1.126478 0.332221
H -4.014391 -0.483514 1.964551
H -4.113442 0.587289 0.544583
H -1.170363 3.213986 -0.051914
H -2.529313 3.491437 -1.184314
H -2.828695 2.759269 0.415451
H -1.043108 -2.738936 0.808982
H 0.532363 -1.937490 0.474502
H 0.885291 0.001055 -1.484870
H 2.901598 1.518547 -1.447635
H 2.559790 1.776190 0.294647
H -0.710671 -4.214792 -1.251961
H 0.875549 -3.440227 -1.539611
H 0.614302 -4.430889 -0.072488
H 3.588918 -0.913551 -0.933560
H 4.788073 -1.105508 1.222740
H 4.033011 0.503017 1.802576


