%chk=000058844.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058844

0 1
 Cl   8.132800     -0.5187000      4.0500000E-02
 S    1.524700       1.347900     -0.5745000    
 N   -7.700100     -0.3394000      0.4421000    
 N   -3.965500      -2.715100     -0.1438000    
 C    3.643900     -0.2568000      0.1673000    
 C    2.143200     -0.1682000      0.2090000    
 C  -0.2367000       1.168000     -0.3720000    
 C    4.391000      0.2769000       1.209100    
 C    4.264100     -0.8705000     -0.9132000    
 C   -2.994000      0.8857000     -5.5300001E-02
 C  -0.7853000       1.066900      0.9065000    
 C   -1.066800       1.128000      -1.492300    
 C   -2.163900      0.9256000       1.064900    
 C   -2.445500      0.9869000      -1.333900    
 C    5.782900      0.1957000       1.169900    
 C    5.656200     -0.9519000     -0.9525000    
 C    6.415600     -0.4188000      8.9100003E-02
 C   -4.431600      0.7400000      0.1100000    
 C   -5.130800     -0.4217000      0.1394000    
 C   -6.548000     -0.3750000      0.3061000    
 C   -4.486000      -1.685500     -1.6400000E-02
 H    1.703900      -1.037400     -0.2950000    
 H    1.807000     -0.2136000       1.251100    
 H    3.908900      0.7587000       2.055200    
 H    3.682500      -1.288100      -1.730300    
 H  -0.1597000       1.104800       1.794700    
 H  -0.6575000       1.205100      -2.496600    
 H   -2.576700      0.8506000       2.068100    
 H   -3.079500      0.9581000      -2.216900    
 H    6.361800      0.6158000       1.988300    
 H    6.135400      -1.433100      -1.801200    
 H   -4.959200       1.686200      0.2244000    


%chk=000058844-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058844

0 1
Cl 8.478448 -0.102689 -0.186356
S 1.514308 0.168084 -0.949883
N -7.970584 0.279125 0.849646
N -5.692732 0.720009 -2.945410
C 3.890657 -0.083072 0.505159
C 2.399290 -0.076765 0.733256
C -0.243615 0.171495 -0.482101
C 4.635251 1.122869 0.566455
C 4.572585 -1.294151 0.220437
C -3.059655 0.205356 0.046899
C -0.722421 0.009148 0.844276
C -1.180902 0.350962 -1.540395
C -2.103822 0.027153 1.094654
C -2.557890 0.367871 -1.285016
C 6.031492 1.126771 0.357084
C 5.968264 -1.309899 0.007601
C 6.676660 -0.094559 0.080869
C -4.463022 0.206234 0.426336
C -5.616650 0.355159 -0.337406
C -6.903326 0.314114 0.308748
C -5.644213 0.553600 -1.760593
H 2.044207 -1.034066 1.148585
H 2.088046 0.756184 1.384483
H 4.123982 2.069049 0.777636
H 4.012424 -2.234415 0.161880
H -0.034545 -0.130577 1.682687
H -0.822597 0.478280 -2.567717
H -2.458969 -0.099226 2.124872
H -3.242140 0.508225 -2.124961
H 6.604030 2.057020 0.408382
H 6.492276 -2.244965 -0.208922
H -4.647738 0.064776 1.500615


