%chk=000006761.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006761

0 1
 Cl  -5.777200      -2.838400     -0.8726000    
 S   -2.561600       2.033900       1.477000    
 O    5.746800      0.9078000     -0.2849000    
 N    1.616600      -1.192600      0.4840000    
 N   -1.491100      5.9400000E-02 -0.6726000    
 N    6.857100      -1.100300     -0.1153000    
 C    4.533600     -0.9931000      0.5032000    
 C    3.765600      -1.585400     -0.6772000    
 C    3.645700     -2.5500000E-02   1.283200    
 C    2.433100      -2.186500     -0.2266000    
 C    2.317800     -0.6797000       1.669100    
 C   0.3257000      -1.767300      0.8623000    
 C  -0.4995000      -2.176800     -0.3616000    
 C  -0.7877000      -1.041600      -1.343500    
 C    5.755400     -0.2865000      3.1999999E-03
 C   -2.804700     -0.1952000     -0.2034000    
 C  -0.8290000       1.311200     -0.6033000    
 C   -3.409000      0.6433000      0.7541000    
 C   -1.237500       2.299100      0.3144000    
 C   -3.578700      -1.269700     -0.6938000    
 C   0.2390000       1.641000      -1.466400    
 C   -4.714800      0.3904000       1.210700    
 C  -0.5818000       3.541600      0.3740000    
 C   -4.877900      -1.513600     -0.2402000    
 C   0.8840000       2.879400      -1.406300    
 C   -5.445300     -0.6846000      0.7155000    
 C   0.4754000       3.829400     -0.4827000    
 H    4.837300      -1.804500       1.178000    
 H    4.367700      -2.359500      -1.168900    
 H    3.580600     -0.8118000      -1.435100    
 H    3.433900      0.8742000      0.6896000    
 H    4.164900      0.3155000       2.187300    
 H    1.944400      -2.536200      -1.140300    
 H    2.619700      -3.065700      0.4042000    
 H    2.499500      -1.483100       2.395000    
 H    1.699600      7.6700002E-02   2.168000    
 H   0.4642000      -2.645100       1.507600    
 H  -0.2485000      -1.041900       1.451400    
 H  -3.1900000E-02  -3.008300     -0.9004000    
 H   -1.432200      -2.609000      1.7899999E-02
 H   -1.358100      -1.403700      -2.206900    
 H   0.1782000     -0.7824000      -1.776400    
 H    7.742200     -0.7336000     -0.4494000    
 H    6.833400      -2.087800      0.1179000    
 H   -3.193900      -1.937600      -1.459600    
 H   0.5822000      0.9866000      -2.260300    
 H   -5.177600       1.030800       1.958900    
 H  -0.8895000       4.300800       1.090400    
 H    1.696500       3.101500      -2.092000    
 H   -6.453500     -0.8580000       1.081800    
 H   0.9725000       4.793200     -0.4324000    


%chk=000006761-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000006761

0 1
Cl -6.034748 -2.347402 -1.185321
S -2.060236 1.621259 1.970546
O 5.663526 0.248111 -1.352966
N 1.636162 -1.603085 0.377142
N -1.391502 0.040936 -0.570854
N 6.920083 -0.385076 0.489076
C 4.540303 -1.072440 0.394764
C 3.877820 -2.028973 -0.630120
C 3.493293 -0.027579 0.877190
C 2.589126 -2.649758 -0.056918
C 2.226677 -0.722827 1.412596
C 0.295033 -2.129653 0.726775
C -0.591526 -2.347279 -0.522770
C -0.736984 -1.044804 -1.343010
C 5.739562 -0.354150 -0.240588
C -2.730324 -0.134620 -0.123771
C -0.790173 1.340208 -0.528760
C -3.226208 0.591884 0.997308
C -1.046962 2.221427 0.557959
C -3.617588 -1.026554 -0.788395
C 0.060818 1.802411 -1.569339
C -4.562979 0.460536 1.417818
C -0.484943 3.511966 0.606976
C -4.934519 -1.170815 -0.320250
C 0.659864 3.078473 -1.501498
C -5.439793 -0.441986 0.770521
C 0.389939 3.942204 -0.416921
H 4.878688 -1.663675 1.273039
H 4.582441 -2.834201 -0.914733
H 3.644360 -1.449336 -1.541242
H 3.219299 0.618866 0.023292
H 3.926024 0.616385 1.666949
H 2.106741 -3.274772 -0.831100
H 2.850411 -3.332402 0.796866
H 2.482161 -1.296061 2.344107
H 1.476578 0.040578 1.689122
H 0.358021 -3.084259 1.304947
H -0.203237 -1.389593 1.380071
H -0.145061 -3.112888 -1.187798
H -1.575115 -2.738660 -0.202195
H -1.258317 -1.235719 -2.303825
H 0.288478 -0.712970 -1.567533
H 7.736929 0.100509 0.117747
H 6.992672 -0.872662 1.379976
H -3.287394 -1.590894 -1.662881
H 0.251592 1.169204 -2.440194
H -4.920115 1.046969 2.270412
H -0.719650 4.169029 1.451164
H 1.327307 3.399646 -2.308241
H -6.470397 -0.570996 1.109434
H 0.845465 4.936291 -0.367972


