%chk=000072498.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072498

0 1
 S    3.935400      -2.148700      0.5375000    
 S   -3.128900       3.101200      -1.540000    
 S    1.509300      -2.323600       2.321800    
 S  -0.4020000       4.317300      -1.109500    
 O   0.1851000     -0.2028000      -1.636000    
 N   0.4636000       1.076600      0.8107000    
 N    2.547800     -1.3700000E-02   1.192200    
 N   -1.545500       2.288100      0.3957000    
 N  -0.1956000     -0.1496000      0.6531000    
 N   -2.262200      -4.452600     -0.8508000    
 C    1.597400      0.9257000       1.726700    
 C  -0.4669000       2.084700       1.326000    
 C    3.612700      0.4370000      0.3482000    
 C   -2.738700       1.502200      0.4891000    
 C    4.454500     -0.5825000     -9.3800001E-02
 C   -3.696200       1.809600     -0.4764000    
 C    2.566400      -1.409100       1.406500    
 C   -1.581500       3.221000     -0.6639000    
 C    3.847900       1.753200     -3.6699999E-02
 C   -2.989400      0.5080000       1.429600    
 C    5.538100     -0.3224000     -0.9193000    
 C   -4.912000       1.144600     -0.5305000    
 C  -0.2783000     -0.7024000     -0.6138000    
 C    4.936900       2.027600     -0.8687000    
 C   -4.211200     -0.1693000       1.384900    
 C    5.777000      0.9961000      -1.307200    
 C   -5.166800      0.1472000      0.4109000    
 C  -0.9719000      -2.013300     -0.6967000    
 C  -0.6396000      -2.880300      -1.710800    
 C   -1.926600      -2.322900      0.2431000    
 C   -1.314600      -4.089800      -1.744300    
 C   -2.544200      -3.557400      0.1223000    
 H    2.086100       1.884400       1.930300    
 H    1.252000      0.5641000       2.704000    
 H   6.7800000E-02   3.034600       1.438200    
 H  -0.8492000       1.843500       2.325100    
 H  -0.4759000     -0.6384000       1.496800    
 H    3.213700       2.576800      0.2711000    
 H   -2.305000      0.2706000       2.235500    
 H    6.191600      -1.118200      -1.262000    
 H   -5.655700       1.386700      -1.282800    
 H    5.132700       3.049900      -1.181100    
 H   -4.430700     -0.9369000       2.122300    
 H    6.619100       1.225500      -1.954300    
 H   -6.113100     -0.3860000      0.3917000    
 H   0.1140000      -2.654900      -2.456300    
 H   -2.154800      -1.737400       1.110500    
 H   -1.102600      -4.823100      -2.515400    
 H   -3.289000      -3.879100      0.8429000    


%chk=000072498-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072498

0 1
S 4.227597 -1.917225 0.755706
S -1.839533 4.300356 -0.800416
S 2.425339 -2.043475 3.284521
S 0.576419 4.305860 1.160831
O -0.453022 -0.316401 -0.884526
N 0.211783 0.638546 1.673138
N 2.556933 0.014424 1.413984
N -1.412818 2.380806 0.959555
N -0.193451 -0.681158 1.414691
N -1.238064 -5.351537 -0.520501
C 1.594336 0.815912 2.178809
C -0.807893 1.595051 2.076105
C 3.122992 0.450013 0.183834
C -2.592801 1.977880 0.284567
C 4.080224 -0.463149 -0.328862
C -3.000695 2.906165 -0.709807
C 2.969990 -1.230736 1.886539
C -0.831252 3.572500 0.545913
C 2.824929 1.642455 -0.508272
C -3.349454 0.807698 0.512430
C 4.770687 -0.207147 -1.526018
C -4.155285 2.695604 -1.483276
C -0.413416 -1.110356 0.095326
C 3.519169 1.903068 -1.708062
C -4.512074 0.595927 -0.257353
C 4.482624 0.994063 -2.213939
C -4.916558 1.528226 -1.245340
C -0.682955 -2.589220 -0.058812
C -1.470934 -3.000194 -1.162695
C -0.159893 -3.588847 0.800836
C -1.725084 -4.375612 -1.347577
C -0.461853 -4.943126 0.526943
H 1.841722 1.888099 2.086559
H 1.700277 0.492008 3.234523
H -0.356579 2.341155 2.754267
H -1.638888 1.086512 2.595103
H -0.096988 -1.365902 2.178211
H 2.067146 2.341304 -0.140271
H -3.035767 0.063129 1.249687
H 5.508037 -0.914832 -1.916580
H -4.458530 3.414709 -2.250208
H 3.298191 2.822344 -2.259537
H -5.104602 -0.309698 -0.091429
H 5.005489 1.217847 -3.149350
H -5.820138 1.342916 -1.834794
H -1.857959 -2.247961 -1.856554
H 0.503933 -3.350093 1.640902
H -2.336529 -4.725628 -2.186539
H -0.063803 -5.740482 1.164133


