%chk=000005694.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005694

0 1
 Cl   2.892100       4.506800      0.5275000    
 S    3.368200     -0.5995000     -0.5798000    
 O    2.260900      -4.322200     -0.3169000    
 O    4.311700      -3.361800     -0.1244000    
 N   -1.187700       1.522100     -8.9199997E-02
 N   0.9882000      0.5804000     -0.3077000    
 N    2.932600       1.974600     -2.0000000E-02
 C   -3.273300      0.2979000     -0.4265000    
 C   -2.043500      0.4405000      0.2159000    
 C   -4.103500     -0.7781000     -0.1124000    
 C   -1.643800     -0.4929000       1.172200    
 C   -3.703900      -1.711600      0.8440000    
 C   -3.704800       1.297400      -1.453500    
 C   -2.473900      -1.568900       1.486200    
 C   -5.425200     -0.9543000     -0.7855000    
 C   0.2120000       1.663400     -6.8300001E-02
 C   0.7296000       2.919200      0.1994000    
 C    2.315700      0.8037000     -0.2687000    
 C    2.106100       3.015800      0.2108000    
 C    2.351100      -1.969400      3.9900001E-02
 C    3.091500      -3.263000     -0.1430000    
 H  -0.6962000     -0.3988000       1.695900    
 H   -1.659700       2.332300     -0.4789000    
 H   -4.337900      -2.556100       1.100500    
 H   -4.063300       2.207800     -0.9618000    
 H   -2.875800       1.555800      -2.122100    
 H   -4.496400      0.9381000      -2.115700    
 H   -2.163600      -2.294400       2.232500    
 H   -6.043700     -5.7100002E-02 -0.6764000    
 H   -5.290500      -1.188000      -1.846500    
 H   -5.993500      -1.780700     -0.3437000    
 H   9.2900001E-02   3.775500      0.3900000    
 H    1.421800      -2.013000     -0.5364000    
 H    2.124800      -1.836800       1.101600    
 H    2.756500      -5.161500     -0.4282000    


%chk=000005694-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005694

0 1
Cl 2.786716 4.757729 -0.472770
S 3.634455 -0.473623 0.323180
O 2.354361 -4.285996 0.800922
O 4.477738 -3.334596 0.780308
N -1.144144 1.365861 -0.318916
N 1.091436 0.534594 -0.023035
N 2.973630 2.081559 -0.085485
C -3.357257 0.355805 -0.368508
C -1.940141 0.186285 -0.222622
C -4.201242 -0.787476 -0.281345
C -1.381578 -1.096295 0.004995
C -3.627296 -2.064847 -0.054022
C -3.931696 1.745249 -0.613220
C -2.232660 -2.214292 0.087344
C -5.712076 -0.674534 -0.426780
C 0.221762 1.576504 -0.237620
C 0.710700 2.918644 -0.384342
C 2.412836 0.843536 0.041592
C 2.097513 3.081397 -0.294979
C 2.454153 -1.935713 0.438386
C 3.241515 -3.205010 0.686198
H -0.302583 -1.190112 0.111395
H -1.679552 2.220615 -0.481081
H -4.282063 -2.940934 0.011979
H -3.705893 2.442340 0.220204
H -3.545465 2.196819 -1.550409
H -5.026541 1.718897 -0.709097
H -1.800925 -3.205646 0.263675
H -6.155049 -0.015600 0.343917
H -6.004420 -0.267364 -1.413378
H -6.185320 -1.665431 -0.325237
H 0.043736 3.765859 -0.556251
H 1.882146 -2.022615 -0.499582
H 1.735664 -1.767204 1.256298
H 2.873041 -5.121209 0.959087


