%chk=000005680.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005680

0 1
 Cl   5.233700     -0.7325000       1.355700    
 S  -0.8436000      0.8197000      -1.323900    
 O   -1.535400       2.097500      -1.282100    
 O  -0.5180000      0.2165000      -2.605400    
 N   -1.711300     -0.3109000     -0.3849000    
 N   -6.938700     -0.5723000      8.9500003E-02
 C   -3.333000     -0.7032000       1.422400    
 C   -2.036900     -8.6000003E-03   1.016200    
 C   0.6565000      0.9730000     -0.4211000    
 C   -4.524400     -0.2751000      0.5563000    
 C    1.611000     -5.4699998E-02 -0.3499000    
 C    2.794400      0.1504000      0.3986000    
 C   -5.818500      -1.009300      0.9138000    
 C   0.8656000       2.185500      0.2366000    
 C    1.416800      -1.281500      -1.005600    
 C    2.988500       1.377400       1.053900    
 C    2.029500       2.387300      0.9726000    
 C    3.748900     -0.8774000      0.4694000    
 C    2.375700      -2.291700     -0.9242000    
 C    3.539400      -2.090100     -0.1879000    
 H   -3.545600     -0.4820000       2.474900    
 H   -3.203300      -1.789700       1.341800    
 H   -2.142000       1.071300       1.162600    
 H   -1.219900     -0.3631000       1.653200    
 H   -4.673500      0.8068000      0.6665000    
 H   -4.303500     -0.4574000     -0.5027000    
 H   -1.641000      -1.307000     -0.6266000    
 H   -5.680500      -2.087600      0.7798000    
 H   -6.062000     -0.8380000       1.968300    
 H   0.1435000       2.995600      0.2027000    
 H   0.5267000      -1.535000      -1.566400    
 H    3.878800       1.585300       1.641200    
 H    2.191300       3.331100       1.485400    
 H    2.210300      -3.239400      -1.428500    
 H    4.273100      -2.890900     -0.1357000    
 H   -7.094900      0.4257000      0.2248000    
 H   -7.789500      -1.039900      0.3993000    


%chk=000005680-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005680

0 1
Cl 5.428917 -0.828234 1.498196
S -0.806301 0.877852 -1.356174
O -1.489979 2.344466 -1.220004
O -0.590530 0.147711 -2.791342
N -1.897655 -0.248047 -0.407065
N -7.184910 -0.783340 0.210717
C -3.526021 -0.579834 1.419635
C -2.271976 0.197610 0.955712
C 0.865129 0.995427 -0.408322
C -4.776943 -0.303440 0.559988
C 1.800578 -0.090398 -0.406454
C 2.985655 0.092920 0.426494
C -6.017727 -1.065209 1.068080
C 1.044910 2.185032 0.284981
C 1.638029 -1.303207 -1.156376
C 3.166748 1.318539 1.147007
C 2.226234 2.346002 1.071680
C 3.926418 -0.989158 0.469351
C 2.593883 -2.316162 -1.069124
C 3.750725 -2.170254 -0.244095
H -3.717100 -0.293893 2.474744
H -3.306955 -1.668077 1.426576
H -2.510011 1.274920 0.888215
H -1.447379 0.066297 1.690730
H -4.986702 0.787371 0.566085
H -4.586214 -0.580639 -0.491214
H -1.526178 -1.209346 -0.487945
H -5.815606 -2.153907 1.022979
H -6.175110 -0.813783 2.148598
H 0.290223 2.975431 0.211901
H 0.791794 -1.400314 -1.843933
H 4.066020 1.436895 1.758422
H 2.383994 3.280835 1.618175
H 2.471892 -3.235455 -1.650729
H 4.494124 -2.969709 -0.183675
H -7.410828 0.213019 0.129496
H -8.012947 -1.352124 0.409291


