%chk=000050322.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050322

0 1
 Cl  -4.760800      -1.115400      -1.425300    
 S   0.5704000     -0.2941000       1.828300    
 N  -0.1777000       2.538100      0.6499000    
 C  -0.4415000       1.643000     -0.4801000    
 C   0.8423000       1.238600      -1.222900    
 C   -1.287500      0.4376000     -0.1251000    
 C    1.903500      0.3345000     -0.6235000    
 C  -0.9024000     -0.4966000      0.8508000    
 C    1.869600     -0.3520000      0.6040000    
 C   -2.489200      0.2249000     -0.8255000    
 C    3.046100      0.1660000      -1.443900    
 C   -1.720800      -1.604700       1.118900    
 C    2.969800      -1.156200      0.9738000    
 C   -1.423400       3.054200       1.182900    
 C   -3.293000     -0.8827000     -0.5573000    
 C   -2.908400      -1.797600      0.4153000    
 C    4.120700     -0.6374000      -1.067400    
 C    4.082300      -1.300000      0.1472000    
 H  -0.9996000       2.243600      -1.213800    
 H    1.347500       2.170900      -1.517500    
 H   0.5299000      0.7562000      -2.161800    
 H   0.3436000       2.053500       1.378400    
 H   -2.797100      0.9346000      -1.591400    
 H    3.100200      0.6757000      -2.405200    
 H   -1.443900      -2.330700       1.880400    
 H    2.973700      -1.690200       1.923300    
 H   -1.196100       3.801500       1.950500    
 H   -2.035900       2.284700       1.663000    
 H   -2.018100       3.561400      0.4155000    
 H   -3.523400      -2.665100      0.6404000    
 H    4.980300     -0.7411000      -1.722200    
 H    4.912900      -1.927500      0.4556000    


%chk=000050322-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050322

0 1
Cl -5.126908 -0.953153 -1.338102
S 0.523037 -0.549765 1.761834
N -0.104528 2.428299 0.558269
C -0.465269 1.518444 -0.544590
C 0.789503 1.065068 -1.334612
C -1.383710 0.330728 -0.180800
C 1.937200 0.298619 -0.667023
C -1.029538 -0.656529 0.773675
C 1.915770 -0.456136 0.537678
C -2.643281 0.216874 -0.820708
C 3.166552 0.312850 -1.388414
C -1.906657 -1.719050 1.086740
C 3.068793 -1.156332 0.981708
C -1.234201 3.105938 1.223484
C -3.509785 -0.843421 -0.496599
C -3.166979 -1.820433 0.455289
C 4.317411 -0.370387 -0.952682
C 4.269836 -1.114246 0.248057
H -1.046625 2.129525 -1.265899
H 1.226225 1.984258 -1.768848
H 0.429870 0.452970 -2.187027
H 0.532765 1.982634 1.232029
H -2.944501 0.963951 -1.563383
H 3.207439 0.889342 -2.321238
H -1.602979 -2.474987 1.817911
H 3.011665 -1.742651 1.905169
H -0.840250 3.808280 1.978836
H -1.955630 2.422486 1.728494
H -1.798089 3.698240 0.478165
H -3.851173 -2.639211 0.693600
H 5.239409 -0.323718 -1.541920
H 5.148629 -1.660789 0.606206


