%chk=000078297.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078297

0 1
 S   -4.263900     -6.0000001E-03  0.3226000    
 O   -4.519300      -1.154400       1.181000    
 O   -4.761100       1.308000      0.7062000    
 O    2.322800      -1.814200     -0.2182000    
 O    4.201900      0.2931000       1.539200    
 N    1.582800      0.3839000     -0.5908000    
 N   -4.817500     -0.3625000      -1.254100    
 C   -2.543000      0.1088000      5.3199999E-02
 C   0.1869000      0.2906000     -0.3735000    
 C   -1.969500       1.335600     -0.2814000    
 C   -1.741300      -1.026300      0.1728000    
 C  -0.5943000       1.427100     -0.4963000    
 C  -0.3662000     -0.9347000     -4.2100001E-02
 C    3.924300     -0.1514000     -0.8131000    
 C    2.519300     -0.6383000     -0.5135000    
 C    4.702400      0.2681000      0.4157000    
 C    6.135900      0.6725000      0.1921000    
 H   -2.575700       2.231000     -0.3861000    
 H   -2.168800      -1.992600      0.4256000    
 H  -0.1576000       2.387000     -0.7577000    
 H   0.1847000      -1.857200      6.5899998E-02
 H    1.920100       1.314100     -0.8288000    
 H    3.891400      0.6938000      -1.508900    
 H    4.463100     -0.9695000      -1.304100    
 H   -5.168100      -1.311400      -1.433100    
 H   -5.331100      0.3719000      -1.756500    
 H    6.690300     -0.1656000     -0.2370000    
 H    6.594700      0.9478000       1.145800    
 H    6.172700       1.533500     -0.4799000    


%chk=000078297-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078297

0 1
S -4.326635 -0.077523 0.290953
O -4.742251 -1.587333 0.741413
O -4.764869 1.260170 1.112720
O 2.356687 -2.108624 -0.684087
O 3.752417 1.889432 0.005989
N 1.706719 0.138355 -0.386891
N -4.972805 0.160505 -1.422269
C -2.466023 -0.035238 0.070946
C 0.302652 0.024461 -0.233716
C -1.816366 1.207325 0.155563
C -1.788884 -1.244726 -0.146026
C -0.418992 1.229700 0.002568
C -0.387968 -1.218660 -0.299576
C 4.093799 -0.410368 -0.772715
C 2.628796 -0.875154 -0.595210
C 4.549201 0.918653 -0.165322
C 6.012608 1.027132 0.210297
H -2.384771 2.120073 0.358178
H -2.339758 -2.190301 -0.170772
H 0.118987 2.182383 0.068524
H 0.176115 -2.137914 -0.464436
H 2.128036 1.082513 -0.288526
H 4.274547 -0.340696 -1.867617
H 4.735851 -1.236048 -0.421620
H -5.470277 -0.703538 -1.696281
H -5.586086 0.993036 -1.408139
H 6.202199 0.429212 1.123479
H 6.282440 2.075098 0.410085
H 6.660531 0.610774 -0.582510


