%chk=000059181.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059181

0 1
 S  -0.6100000     -0.9345000     -0.6346000    
 O    2.303300      -1.108000      0.3415000    
 O    4.205400      -2.356800     -7.0000002E-03
 N    4.193000       2.409100      9.4400004E-02
 C   -3.190000      0.1075000     -0.9061000    
 C   -2.295800     -0.7336000      1.9900000E-02
 C   -4.582300      0.3205000     -0.4152000    
 C   6.8899997E-02  -1.940000      0.7043000    
 C   -5.587900     -0.5841000     -0.7559000    
 C   -4.878700       1.424400      0.3842000    
 C    1.525900      -2.293100      0.4495000    
 C   -6.890000     -0.3848000     -0.2971000    
 C   -6.180700       1.623600      0.8431000    
 C   -7.186500      0.7190000      0.5024000    
 C    4.330300      2.4000000E-02  2.1600001E-02
 C    3.633900      -1.284100      0.1118000    
 C    5.684800      6.4300001E-02 -0.2064000    
 C    3.621000       1.186300      0.1655000    
 C    6.309400       1.304100     -0.2859000    
 C    5.525900       2.436200     -0.1301000    
 H   -3.232500     -0.3627000      -1.898400    
 H   -2.721800       1.087300      -1.074700    
 H   -2.233700     -0.2559000       1.004000    
 H   -2.739300      -1.726100      0.1569000    
 H  -7.7999998E-03  -1.362800       1.631700    
 H  -0.5197000      -2.856600      0.8089000    
 H    1.899100      -2.892400       1.288700    
 H    1.621500      -2.885700     -0.4689000    
 H   -5.369400      -1.449200      -1.376300    
 H   -4.103700       2.135200      0.6585000    
 H   -7.673000      -1.089400     -0.5618000    
 H   -6.411500       2.482700       1.466200    
 H   -8.200200      0.8741000      0.8599000    
 H    6.277100     -0.8375000     -0.3252000    
 H    2.552600       1.224200      0.3466000    
 H    7.375800       1.381800     -0.4643000    
 H    5.964900       3.427000     -0.1836000    


%chk=000059181-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059181

0 1
S -0.627200 -0.458885 -0.412751
O 2.364867 -0.947673 0.429995
O 4.111482 -2.422846 -0.028272
N 4.722971 2.424045 -0.057295
C -3.283652 0.390616 -0.813765
C -2.447822 -0.511519 0.123063
C -4.754065 0.375100 -0.414364
C 0.081434 -1.564120 0.954356
C -5.638832 -0.600810 -0.941750
C -5.260447 1.311656 0.523698
C 1.443913 -2.111919 0.556554
C -6.993722 -0.642421 -0.541970
C -6.614602 1.274195 0.926440
C -7.486332 0.295325 0.395240
C 4.517528 -0.016605 -0.030791
C 3.689537 -1.247921 0.112159
C 5.904766 -0.156212 -0.289014
C 3.972638 1.291546 0.072414
C 6.689896 1.005822 -0.426053
C 6.060085 2.267405 -0.300499
H -3.162576 0.036646 -1.855014
H -2.881821 1.420128 -0.769758
H -2.513731 -0.156010 1.166349
H -2.796634 -1.558486 0.075346
H 0.147772 -0.984596 1.890325
H -0.613288 -2.411508 1.097357
H 1.845377 -2.796094 1.327432
H 1.413360 -2.647427 -0.409293
H -5.265044 -1.326395 -1.675357
H -4.591310 2.078400 0.934386
H -7.664490 -1.399674 -0.963728
H -6.990145 2.008872 1.647866
H -8.537414 0.266935 0.703699
H 6.331890 -1.160553 -0.376352
H 2.903712 1.430720 0.259702
H 7.763953 0.943461 -0.625043
H 6.636245 3.194800 -0.397214


