%chk=000038139.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038139

0 1
 Cl  -6.253200      0.1160000       2.055700    
 S   -3.555000     -0.3486000      0.1207000    
 N    3.089800      0.5776000      0.5599000    
 N  -0.7006000     -0.3354000     -0.9882000    
 C    1.459200      -1.060000     -0.1493000    
 C    1.026500      -2.491300     -0.3105000    
 C    2.189500      -3.480900     -0.2511000    
 C    3.113500      -3.151100      0.9153000    
 C    3.718600      -1.760700      0.7338000    
 C    2.698800     -0.7102000      0.3805000    
 C   0.5854000     -2.2399999E-02 -0.4744000    
 C   0.9637000       1.313300     -0.2917000    
 C    2.243000       1.571200      0.2345000    
 C   -1.304900      -1.614600     -0.8169000    
 C   0.1025000       2.375300     -0.6178000    
 C    2.622300       2.898500      0.4157000    
 C   -2.806500      -1.513600      -1.054700    
 C   0.5058000       3.693500     -0.4262000    
 C    1.768200       3.955300      9.0999998E-02
 C   -5.269100     -0.4796000     -0.4367000    
 C   -6.197300      0.4677000      0.3104000    
 H   0.3721000      -2.810200      0.5015000    
 H   0.6874000      -2.683300      -1.324900    
 H    1.806000      -4.503500     -0.1558000    
 H    2.766200      -3.443800      -1.185100    
 H    3.914700      -3.895200      0.9851000    
 H    2.549700      -3.194900       1.855700    
 H    4.462900      -1.790000     -7.1599998E-02
 H    4.241900      -1.471500       1.652500    
 H   -1.210800      0.3756000      -1.494800    
 H   -1.243200      -1.985000      0.2079000    
 H   -1.021600      -2.331300      -1.587400    
 H  -0.8964000       2.226300      -1.014900    
 H    3.606000       3.129400      0.8205000    
 H   -3.270800      -2.497500     -0.9282000    
 H   -3.008800      -1.163100      -2.073100    
 H  -0.1623000       4.511800     -0.6770000    
 H    2.092000       4.980500      0.2446000    
 H   -5.608000      -1.513500     -0.3092000    
 H   -5.309700     -0.2415000      -1.504800    
 H   -5.890500       1.511500      0.1869000    
 H   -7.218200      0.3702000     -7.1500003E-02


%chk=000038139-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038139

0 1
Cl -6.363572 1.629302 -1.109803
S -4.288356 -0.456389 0.703825
N 2.922652 0.585029 -0.121193
N -1.172651 -0.613261 0.278656
C 1.210996 -1.191564 -0.080893
C 0.882722 -2.658890 -0.331912
C 1.984564 -3.402138 -1.117849
C 3.351239 -3.162645 -0.443336
C 3.717577 -1.666927 -0.523888
C 2.565692 -0.717317 -0.207911
C 0.190782 -0.246252 0.193583
C 0.543319 1.158555 0.310191
C 1.930944 1.520255 0.120018
C -1.704711 -1.601521 1.240930
C -0.398239 2.196625 0.616287
C 2.314667 2.898363 0.194104
C -3.151274 -1.979358 0.880781
C 0.003771 3.534255 0.688912
C 1.370287 3.890524 0.465480
C -4.378688 -0.378529 -1.197789
C -4.664968 1.032589 -1.685245
H 0.745328 -3.192066 0.633884
H -0.088807 -2.719308 -0.862898
H 1.746201 -4.482052 -1.157377
H 2.019804 -3.035992 -2.163345
H 4.142636 -3.767980 -0.923642
H 3.294665 -3.488085 0.615104
H 4.072193 -1.424436 -1.546020
H 4.558098 -1.417134 0.149236
H -1.821371 0.182315 0.220594
H -1.671761 -1.201928 2.279149
H -1.090986 -2.517070 1.229830
H -1.447465 1.957268 0.831840
H 3.372101 3.131092 0.034324
H -3.598125 -2.605316 1.670079
H -3.194535 -2.525417 -0.076434
H -0.728505 4.311968 0.932245
H 1.674118 4.941672 0.521516
H -5.151171 -1.085632 -1.540802
H -3.390196 -0.693473 -1.581181
H -3.944801 1.768931 -1.297630
H -4.705373 1.072940 -2.785018


