%chk=000077661.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077661

0 1
 Cl -0.2080000      -4.940300     -0.2432000    
 S    3.464400      0.1574000      0.1154000    
 O   -1.171400       2.582900      0.3601000    
 N   0.3850000      0.1428000      0.5405000    
 N   -4.449100     -0.2378000     -0.3850000    
 C  -0.9492000      0.1415000       1.154600    
 C   -2.023800     -4.5699999E-02  8.2099997E-02
 C   0.9556000       1.400800      0.2207000    
 C   0.9716000      -1.115300      0.2517000    
 C   -3.443900     -3.9999999E-02  0.6522000    
 C    2.337900       1.531400     -1.8100001E-02
 C    2.355700      -1.234000      1.5799999E-02
 C   0.1699000       2.567000      9.1100000E-02
 C   0.2011000      -2.294400      0.1510000    
 C    2.897500       2.780000     -0.3427000    
 C    2.931200      -2.482900     -0.2783000    
 C   0.7305000       3.804500     -0.2366000    
 C   0.7775000      -3.532300     -0.1467000    
 C   -4.384600      0.8368000      -1.377200    
 C   -5.788700     -0.3071000      0.2016000    
 C    2.096300       3.911700     -0.4506000    
 C    2.144400      -3.627100     -0.3585000    
 H   -1.019400     -0.6938000       1.867100    
 H   -1.124900      0.9921000       1.822700    
 H   -1.912200      0.7336000     -0.6746000    
 H   -1.902900     -0.9606000     -0.5012000    
 H   -3.617700      0.8978000       1.196600    
 H   -3.515800     -0.8537000       1.385400    
 H  -0.8582000      -2.318100      0.3732000    
 H    3.967000       2.884100     -0.5150000    
 H    4.001800      -2.577200     -0.4488000    
 H   0.1146000       4.696600     -0.3148000    
 H   -4.407800       1.832500     -0.9194000    
 H   -5.234200      0.7692000      -2.067800    
 H   -3.498800      0.7522000      -2.013600    
 H   -6.064700      0.6223000      0.7130000    
 H   -5.851500      -1.129900      0.9226000    
 H   -6.538000     -0.5122000     -0.5711000    
 H    2.537800       4.871600     -0.7002000    
 H    2.612000      -4.580800     -0.5879000    
 H   -1.528300       3.476200      0.2198000    


%chk=000077661-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077661

0 1
Cl 0.191828 -4.813089 -1.544199
S 3.301965 0.106002 1.203155
O -1.066711 2.358103 -0.620298
N 0.338212 0.083369 0.363194
N -4.755382 -0.152898 0.017996
C -1.015194 -0.010484 0.989069
C -2.232696 -0.291994 0.067344
C 0.980700 1.353166 0.222358
C 1.044811 -1.111155 0.040686
C -3.516885 0.279806 0.705596
C 2.362025 1.523674 0.516767
C 2.442550 -1.229414 0.288333
C 0.288812 2.507159 -0.258602
C 0.375513 -2.224153 -0.538850
C 3.027648 2.757007 0.359949
C 3.151906 -2.396023 -0.057194
C 0.932079 3.760662 -0.371398
C 1.095935 -3.395580 -0.826887
C -4.861282 0.353239 -1.364491
C -5.962855 0.159735 0.809179
C 2.302454 3.889221 -0.066742
C 2.480294 -3.511043 -0.610053
H -0.955441 -0.791174 1.773386
H -1.182742 0.952814 1.502138
H -2.044278 0.174517 -0.913079
H -2.391744 -1.376642 -0.077456
H -3.428207 1.398856 0.742015
H -3.584917 -0.072627 1.754952
H -0.686734 -2.166789 -0.774535
H 4.096439 2.827338 0.583232
H 4.228987 -2.449585 0.131468
H 0.361592 4.630288 -0.723693
H -4.879877 1.473554 -1.422444
H -5.790585 -0.027564 -1.824501
H -4.014058 -0.006271 -1.971734
H -6.127235 1.258514 0.958940
H -5.888419 -0.312300 1.805251
H -6.855629 -0.250451 0.303722
H 2.800193 4.858314 -0.168831
H 3.017822 -4.430129 -0.855578
H -1.422193 3.215826 -0.962264


