%chk=000178586.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178586

0 1
 S   0.2195000      -1.796000      -2.030400    
 P   3.7099998E-02 -0.7898000     -0.3497000    
 O  -0.1924000      -1.772600      0.9421000    
 N   -1.180100      0.3205000     -0.2749000    
 N    1.382200      5.8499999E-02  8.7600000E-02
 C   -1.463100      0.9806000      0.9996000    
 C   -2.483700     -8.8000000E-03 -0.8468000    
 C    1.783800       1.216300     -0.7115000    
 C    2.617200     -0.6636000      0.3845000    
 C   -2.787000       1.705600      0.8014000    
 C   -3.312800       1.221600     -0.5402000    
 C    3.179000       1.585400     -0.2271000    
 C    3.599200      0.4486000      0.6906000    
 C   -1.398800      -2.506400       1.074800    
 H  -0.6720000       1.688600       1.265400    
 H   -1.556400      0.2677000       1.824100    
 H   -2.934900     -0.8875000     -0.3790000    
 H   -2.436700     -0.1761000      -1.926600    
 H    1.092100       2.054600     -0.5851000    
 H    1.820500      0.9686000      -1.778300    
 H    2.957600      -1.244700     -0.4799000    
 H    2.505200      -1.339900       1.237100    
 H   -2.659000       2.793300      0.7956000    
 H   -3.486300       1.452000       1.605800    
 H   -4.385100       1.006000     -0.5108000    
 H   -3.144800       1.993100      -1.301900    
 H    3.183100       2.537800      0.3138000    
 H    3.867600       1.675400      -1.074600    
 H    4.637500      0.1458000      0.5256000    
 H    3.501800      0.7641000       1.736800    
 H   -2.159600      -1.902000       1.572200    
 H   -1.196700      -3.379600       1.701200    
 H   -1.763800      -2.859000      0.1078000    


%chk=000178586-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178586

0 1
S -0.227680 -1.863801 -2.131882
P -0.123044 -0.853847 -0.300295
O -0.070934 -1.926838 1.107127
N -1.407456 0.271991 -0.116957
N 1.281117 0.066655 0.153996
C -1.516978 1.198355 1.049073
C -2.611879 0.315382 -0.990058
C 1.672303 1.222674 -0.720207
C 2.490278 -0.601174 0.722905
C -2.947473 1.783283 0.910311
C -3.246972 1.671019 -0.607442
C 3.213561 1.331358 -0.547844
C 3.506749 0.557346 0.765053
C -0.891702 -3.148951 1.054357
H -0.744221 1.988927 0.984579
H -1.370733 0.660603 2.003675
H -3.306146 -0.521834 -0.769588
H -2.321642 0.242288 -2.051454
H 1.156985 2.139346 -0.374441
H 1.391985 1.046365 -1.777830
H 2.855058 -1.421433 0.066760
H 2.255440 -1.023677 1.711316
H -3.009358 2.818292 1.287771
H -3.666034 1.167007 1.481519
H -4.326091 1.703742 -0.835803
H -2.749971 2.489654 -1.159855
H 3.551723 2.380643 -0.509306
H 3.724595 0.839448 -1.395419
H 4.546997 0.193357 0.823885
H 3.309719 1.196862 1.644629
H -1.948360 -2.923085 1.293740
H -0.470807 -3.818896 1.820746
H -0.828829 -3.622960 0.056138


