%chk=000005487.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005487

0 1
 Cl  -1.040300      -3.442100      7.1400002E-02
 S   -1.071200       2.959100     -0.2754000    
 N    3.116900     -0.6319000     -0.7893000    
 N   0.9068000      -1.156700     -0.3536000    
 N    2.124100      0.3975000      0.9727000    
 N  -7.8100003E-02   1.630500     -0.3552000    
 N   -2.541300       2.233700     -9.6000005E-03
 C    4.195700      0.1781000     -0.3118000    
 C    3.534400      0.8829000      0.8795000    
 C    2.006300     -0.4510000     -2.0600000E-02
 C  -0.4385000     -0.7955000     -0.1666000    
 C  -0.8619000      0.5552000     -0.1756000    
 C   -2.314200      0.9109000      2.8200001E-02
 C   -1.445800      -1.753000      4.1000001E-02
 C   -3.285600     -9.8200001E-02  0.2330000    
 C   -2.807400      -1.419600      0.2321000    
 H    4.525500      0.8943000      -1.069800    
 H    5.045900     -0.4330000      4.4999998E-03
 H    4.061000      0.6544000       1.812100    
 H    3.536400       1.969400      0.7424000    
 H    3.187800      -1.247200      -1.590300    
 H    1.026600      -1.977500     -0.9406000    
 H   -4.335500      0.1257000      0.3821000    
 H   -3.535500      -2.215900      0.3878000    


%chk=000005487-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005487

0 1
Cl -1.028297 -3.528173 0.093430
S -1.044028 3.058648 -0.598527
N 3.168249 -0.626967 -0.885095
N 0.867875 -1.215544 -0.510636
N 2.114380 0.184353 1.022501
N -0.048404 1.583685 -0.668299
N -2.551147 2.263837 -0.084329
C 4.227897 0.218374 -0.270980
C 3.489673 0.780602 1.011028
C 2.015495 -0.509566 -0.085483
C -0.441888 -0.826883 -0.217048
C -0.863721 0.562878 -0.290450
C -2.261388 0.933942 0.017195
C -1.458276 -1.749572 0.060129
C -3.233553 -0.072599 0.340111
C -2.821003 -1.399761 0.334086
H 4.540988 1.026965 -0.957651
H 5.116234 -0.383972 -0.010420
H 4.014704 0.489282 1.937554
H 3.412798 1.883447 0.999274
H 3.084263 -0.706429 -1.899972
H 1.003560 -2.207986 -0.727936
H -4.262708 0.214376 0.563372
H -3.529603 -2.202837 0.556548


