%chk=000031846.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031846

0 1
 Cl   3.039700      -2.682500      5.7000001E-03
 S    3.941100      0.4219000      3.6600001E-02
 O   -4.205700      -1.844600      0.8132000    
 O  -0.7785000       2.814100      9.9299997E-02
 O    4.030100       1.751200      0.6193000    
 O    4.733400     -0.6678000      0.5838000    
 N   -2.433800       1.158900      9.1499999E-02
 N   -1.809700      -1.135500      6.1700001E-02
 N    4.235100      0.5302000      -1.641900    
 C  -6.8300001E-02  0.5869000      6.8200000E-02
 C   -2.713600     -0.2062000      7.9099998E-02
 C  -0.4618000     -0.7537000      5.5700000E-02
 C   -4.161500     -0.6363000      8.3700001E-02
 C   -1.113000       1.632800      8.7800004E-02
 C    2.257700     -6.5300003E-02  4.3299999E-02
 C    1.287100      0.9353000      6.2199999E-02
 C   0.5237000      -1.747300      3.6600001E-02
 C    1.876900      -1.405400      3.0400001E-02
 C   -3.512700       2.145600      0.1101000    
 C   -4.666100     -0.8322000      -1.326200    
 H   -4.805800      7.4199997E-02  0.6051000    
 H    1.575600       1.982700      6.2700003E-02
 H   0.2238000      -2.793700      2.6600000E-02
 H   -3.132000       3.163300     -1.1600000E-02
 H   -4.027900       2.083700       1.073500    
 H   -4.222900       1.946400     -0.6952000    
 H   -5.707900      -1.170100      -1.314400    
 H   -4.093700      -1.611500      -1.842800    
 H   -4.602200      8.1100002E-02  -1.923800    
 H   -3.981700      -1.641900       1.737800    
 H    4.355700       1.467000      -2.045800    
 H    4.834500     -0.1867000      -2.068700    


%chk=000031846-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031846

0 1
Cl 3.097723 -2.647653 -0.062646
S 3.991816 0.630597 -0.067769
O -4.248078 -2.044823 0.726896
O -0.957632 2.946667 0.076163
O 3.905108 2.245994 -0.234830
O 4.832882 -0.055969 1.136411
N -2.533901 1.195720 0.160359
N -1.854476 -1.111834 0.155129
N 4.561786 0.002468 -1.687337
C -0.142788 0.659410 0.053254
C -2.794467 -0.172082 0.175349
C -0.513779 -0.721991 0.095162
C -4.236500 -0.698289 0.176148
C -1.180579 1.705228 0.091186
C 2.193097 0.023316 -0.030059
C 1.223260 1.025672 -0.011496
C 0.495376 -1.724158 0.066151
C 1.840803 -1.346981 0.003024
C -3.619320 2.202210 0.269889
C -4.816319 -0.706091 -1.263135
H -4.870548 -0.078307 0.835565
H 1.512869 2.082678 -0.043079
H 0.201181 -2.776182 0.089046
H -3.144268 3.192589 0.206946
H -4.137312 2.108494 1.239287
H -4.345100 2.091944 -0.550815
H -5.814425 -1.172934 -1.228918
H -4.171703 -1.311306 -1.923906
H -4.915971 0.306583 -1.694469
H -3.321812 -2.402410 0.583794
H 5.025892 0.778255 -2.186984
H 5.152784 -0.832215 -1.550815


