%chk=000036974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036974

0 1
 Cl   5.387100      9.4099998E-02  8.7899998E-02
 S   -4.068500       1.114200      0.1609000    
 N   -2.481200      -1.116400      0.4129000    
 N  -0.4870000     -0.1353000     -0.5291000    
 C    1.485700      0.9079000      0.4333000    
 C   0.9074000     -6.9200002E-02 -0.3734000    
 C   -3.442900     -0.4735000     -0.4792000    
 C    2.872300      0.9585000      0.5761000    
 C    1.706900     -0.9959000      -1.037900    
 C   -1.120400     -0.8778000      0.3235000    
 C   0.6455000       1.910900       1.153700    
 C   -3.011300      -1.988400       1.454600    
 C    3.676200      3.2099999E-02 -8.7899998E-02
 C    3.093600     -0.9451000     -0.8948000    
 C   -5.163500       1.583800      -1.200600    
 H   -4.296100      -1.138800     -0.6525000    
 H   -2.983200     -0.2947000      -1.457500    
 H    3.328900       1.718800       1.205800    
 H    1.262500      -1.760500      -1.669600    
 H  -0.5681000      -1.423300       1.112400    
 H    1.254900       2.694000       1.617900    
 H  -4.1700002E-02   2.409100      0.4615000    
 H   6.8800002E-02   1.424800       1.947300    
 H   -2.777600      -1.578900       2.442700    
 H   -2.565100      -2.985000       1.374700    
 H   -4.098200      -2.101200       1.386000    
 H    3.707500      -1.673400      -1.418400    
 H   -4.592900       1.690000      -2.126800    
 H   -5.635400       2.542500     -0.9699000    
 H   -5.946400      0.8329000      -1.333900    


%chk=000036974-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036974

0 1
Cl 5.665473 -0.218099 0.381701
S -3.892946 1.479547 0.167432
N -2.514284 -0.995683 -0.164493
N -0.360252 -0.018846 -0.244293
C 1.757554 1.092669 0.242131
C 1.042484 -0.109766 -0.073387
C -3.094827 0.101691 -0.914263
C 3.163518 1.034972 0.381002
C 1.763531 -1.323193 -0.266103
C -1.159531 -0.978983 0.146998
C 1.007403 2.393556 0.437381
C -3.422780 -1.910002 0.542333
C 3.844347 -0.185426 0.202565
C 3.167095 -1.371998 -0.127132
C -5.710128 0.987643 0.036174
H -3.890910 -0.263283 -1.584904
H -2.294826 0.604135 -1.475333
H 3.723040 1.942792 0.627461
H 1.224946 -2.228934 -0.568487
H -0.835582 -1.843875 0.757050
H 1.701362 3.242244 0.561931
H 0.343100 2.591405 -0.422807
H 0.350668 2.347653 1.326111
H -3.950502 -1.390773 1.366996
H -2.851080 -2.751526 0.967884
H -4.172606 -2.319519 -0.159154
H 3.717109 -2.304177 -0.285188
H -6.023693 0.954811 -1.019751
H -6.276817 1.777270 0.554613
H -5.903065 0.019892 0.525233


