%chk=000068758.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068758

0 1
 S    4.786800      0.4564000     -0.2671000    
 O    2.258500       1.296200     -0.2535000    
 O   -4.976700      -1.380000      0.1924000    
 O   -2.861800      -1.988300     -0.3492000    
 N    2.655700     -0.9359000      0.1827000    
 C   -3.262000      0.3121000      0.3679000    
 C   -1.803000      0.5719000      0.2035000    
 C   -4.162300       1.255200     -0.4562000    
 C   -1.031600      0.9395000       1.306000    
 C   -1.209600      0.4476000      -1.052800    
 C   0.9268000       1.058500     -0.1040000    
 C   0.3332000       1.182900       1.152200    
 C   0.1553000      0.6908000      -1.206600    
 C   -3.649500      -1.132600      3.2699998E-02
 C    3.125000      0.2276000     -9.5399998E-02
 C    4.976000      -1.214900      6.7900002E-02
 C    3.739200      -1.787100      0.2796000    
 H   -3.526100      0.4451000       1.426100    
 H   -3.891700       2.301900     -0.2784000    
 H   -4.074500       1.061000      -1.531000    
 H   -5.217100       1.134400     -0.1862000    
 H   -1.477700       1.041400       2.291700    
 H   -1.793300      0.1636000      -1.924300    
 H   0.9278000       1.470000       2.015300    
 H   0.6108000      0.5933000      -2.188400    
 H   -5.204600      -2.307400     -3.1599998E-02
 H    5.949300      -1.683600      9.3300000E-02
 H    3.570900      -2.830500      0.5101000    


%chk=000068758-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068758

0 1
S 4.832047 0.067338 0.978877
O 2.150641 0.473311 1.025341
O -4.680127 -1.114017 1.373040
O -4.186011 -1.547886 -0.852837
N 3.045895 -0.890627 -0.782065
C -3.561021 0.643143 0.140594
C -2.041978 0.548218 0.352111
C -3.920044 1.390550 -1.169415
C -1.429887 1.222216 1.438667
C -1.223077 -0.185434 -0.541771
C 0.753051 0.438220 0.714629
C -0.034343 1.173839 1.624846
C 0.177747 -0.251455 -0.374953
C -4.156938 -0.763177 0.120878
C 3.132131 -0.153554 0.310499
C 5.383917 -0.954329 -0.400550
C 4.314395 -1.342044 -1.183656
H -4.000319 1.170806 1.004436
H -3.460345 2.393633 -1.167020
H -3.550234 0.835518 -2.047763
H -5.014057 1.504030 -1.273174
H -2.046730 1.787213 2.146724
H -1.681535 -0.728174 -1.376330
H 0.451695 1.689524 2.457869
H 0.809233 -0.818235 -1.060680
H -5.017157 -2.051018 1.337307
H 6.439363 -1.184579 -0.522959
H 4.387486 -1.963928 -2.075944


