%chk=000005681.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005681

0 1
 Cl  -5.963200       1.047000       1.381700    
 S  -4.5800000E-02  -1.003600      -1.319400    
 O   0.5654000      -2.314500      -1.210700    
 O  -0.3751000     -0.4577000      -2.622100    
 N   0.8946000      0.1292000     -0.4693000    
 N    8.671700      0.2913000     -0.3056000    
 C    3.727100      4.7899999E-02  0.4827000    
 C    2.548500      0.5765000       1.307400    
 C    5.069700      0.6772000      0.8684000    
 C    1.233000     -0.1092000      0.9506000    
 C    6.253900      0.1278000      6.8700001E-02
 C   -1.539400      -1.018300     -0.3741000    
 C   -2.425500      6.3900001E-02 -0.3535000    
 C    7.558100      0.8112000      0.4792000    
 C   -3.600100     -2.8300000E-02  0.4305000    
 C   -1.790100      -2.174500      0.3567000    
 C   -2.180400       1.235200      -1.088500    
 C   -3.845300      -1.199800       1.165200    
 C   -2.945300      -2.265200       1.127400    
 C   -4.495300       1.053600      0.4563000    
 C   -3.080700       2.300400      -1.051200    
 C   -4.235700       2.209700     -0.2803000    
 H    3.794400      -1.039900      0.6093000    
 H    3.549000      0.2321000     -0.5835000    
 H    2.455500       1.658100       1.149900    
 H    2.750300      0.4228000       2.374100    
 H    5.249300      0.5097000       1.937700    
 H    5.007300       1.763100      0.7244000    
 H    1.311800      -1.182700       1.150500    
 H   0.4313000      0.3000000       1.574400    
 H    6.330600     -0.9548000      0.2293000    
 H    6.072700      0.2838000      -1.002100    
 H   0.8672000       1.113500     -0.7627000    
 H    7.483900       1.892200      0.3191000    
 H    7.754600      0.6440000       1.544000    
 H   -1.113900      -3.023400      0.3584000    
 H   -1.291400       1.405500      -1.681300    
 H   -4.731300      -1.321200       1.782500    
 H   -3.146200      -3.165300       1.701400    
 H   -2.875800       3.204800      -1.617000    
 H    9.539700      0.7178000      1.5600000E-02
 H    8.768200     -0.7102000     -0.1431000    
 H   -4.923200       3.051900     -0.2634000    


%chk=000005681-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005681

0 1
Cl -6.111314 1.358893 1.505739
S -0.154509 -1.168124 -1.330483
O 0.382863 -2.684234 -1.110266
O -0.323880 -0.513068 -2.807714
N 1.060288 -0.094666 -0.468124
N 8.876250 0.636995 -0.300084
C 3.944036 -0.136218 0.514023
C 2.700169 0.253404 1.340594
C 5.206559 0.650011 0.931957
C 1.412003 -0.491318 0.917067
C 6.453382 0.265605 0.104940
C -1.808376 -1.053531 -0.352881
C -2.629173 0.120032 -0.410797
C 7.720108 1.036653 0.528238
C -3.803948 0.117355 0.455627
C -2.089377 -2.168035 0.426099
C -2.364048 1.254397 -1.248902
C -4.089632 -1.031023 1.264106
C -3.260506 -2.152639 1.243940
C -4.627684 1.291692 0.439378
C -3.208756 2.364498 -1.215949
C -4.351438 2.396453 -0.359429
H 4.131184 -1.223787 0.630305
H 3.732331 0.028708 -0.559131
H 2.533532 1.349183 1.275512
H 2.873330 0.029081 2.413144
H 5.410144 0.480026 2.010835
H 5.015365 1.738306 0.819027
H 1.599533 -1.580267 0.903908
H 0.594618 -0.284486 1.642919
H 6.638239 -0.825288 0.208240
H 6.273708 0.453893 -0.970851
H 0.765024 0.889010 -0.592645
H 7.548805 2.120263 0.374810
H 7.875983 0.889445 1.627160
H -1.419420 -3.034038 0.395849
H -1.531081 1.214745 -1.958154
H -4.980284 -1.014442 1.899042
H -3.498026 -3.026692 1.857979
H -3.009618 3.223720 -1.864246
H 9.713060 1.214183 -0.172575
H 9.091756 -0.364241 -0.250090
H -5.007101 3.271146 -0.340520


