%chk=000075972.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075972

0 1
 Cl   7.496900      -1.678900      5.9500001E-02
 S   -5.752200     -0.7527000     -4.9199998E-02
 O   -6.571200      0.3474000     -0.5387000    
 O   -5.839200      -2.058900     -0.6873000    
 N  -6.6000000E-02  0.9869000     -7.3200002E-02
 N   0.9554000      9.1799997E-02 -7.5199999E-02
 N   -6.027500     -0.9417000       1.626500    
 C   0.3731000       2.368600     -4.1000000E-03
 C    1.888100       2.261100      2.6699999E-02
 C    2.058300      0.7692000     -1.8900000E-02
 C   -1.374700      0.5867000     -6.8400003E-02
 C    3.384200      0.1722000     -8.9999998E-04
 C   -2.434300       1.523400      6.6999998E-03
 C   -1.729200     -0.7829000     -0.1375000    
 C   -4.082500     -0.2420000     -5.6499999E-02
 C   -3.768100       1.115300      1.2800000E-02
 C   -3.063000      -1.191200     -0.1316000    
 C    4.514800      0.9868000      5.9300002E-02
 C    3.525400      -1.215000     -4.2100001E-02
 C    5.786600      0.4144000      7.8199998E-02
 C    4.797300      -1.787500     -2.3200000E-02
 C    5.928000     -0.9728000      3.7099998E-02
 H   1.0500000E-02   2.865000      0.9034000    
 H   4.3699998E-02   2.941900     -0.8781000    
 H    2.299800       2.681500      0.9486000    
 H    2.340000       2.738400     -0.8475000    
 H   -2.233900       2.590800      6.2399998E-02
 H  -0.9629000      -1.553000     -0.1970000    
 H   -4.545900       1.870900      7.8299999E-02
 H   -3.285100      -2.253500     -0.1801000    
 H    4.448800       2.069900      9.2600003E-02
 H    2.661200      -1.872400     -8.8900000E-02
 H    6.659100       1.061200      0.1251000    
 H    4.892400      -2.869900     -5.5799998E-02
 H   -6.633300     -0.2541000       2.090600    
 H   -6.131100      -1.897800       1.987700    


%chk=000075972-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000075972

0 1
Cl 7.613068 -1.860845 -0.037233
S -5.810297 -0.818305 -0.050134
O -6.728418 0.420267 -0.585881
O -5.841806 -2.311458 -0.706607
N -0.062080 1.068011 0.012421
N 1.003260 0.169239 -0.001983
N -6.255379 -1.039020 1.732994
C 0.377183 2.497163 0.029107
C 1.927044 2.372385 0.028593
C 2.142220 0.854041 0.006104
C -1.384010 0.624823 0.002500
C 3.449508 0.198034 -0.004444
C -2.450074 1.574610 0.014080
C -1.680789 -0.772507 -0.029979
C -4.040680 -0.243046 -0.014974
C -3.786736 1.138023 0.007342
C -3.014663 -1.207507 -0.037957
C 4.644915 0.971707 0.007905
C 3.559677 -1.224573 -0.027363
C 5.912586 0.352896 -0.001915
C 4.817666 -1.852418 -0.037461
C 5.981909 -1.052841 -0.024468
H -0.009438 3.005802 0.931209
H -0.008231 3.025763 -0.862042
H 2.381592 2.828025 0.926410
H 2.383020 2.854891 -0.854268
H -2.241040 2.648046 0.025681
H -0.856213 -1.487663 -0.051473
H -4.616512 1.851856 -0.005282
H -3.259991 -2.273240 -0.086261
H 4.594300 2.065651 0.025261
H 2.645901 -1.826185 -0.037375
H 6.827647 0.951917 0.007647
H 4.897381 -2.943223 -0.055279
H -7.049530 -0.405758 1.929726
H -6.499489 -2.035460 1.866700


