%chk=000044146.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044146

1 1
 Cl  -4.510800       1.612500      -1.627700    
 S   0.7244000       1.362500       1.878300    
 N  -0.9861000      -2.472200      0.1494000    
 C  -0.2995000      -1.083300     -0.2491000    
 C    1.102200      -1.261400      0.3714000    
 C   0.1978000      -3.452800      0.4019000    
 C    1.439200      -2.694300     -2.4000000E-02
 C   -1.099200      0.1953000      6.9999998E-04
 C   -1.853300      -3.032700     -0.9703000    
 C   -1.819700      -2.357000       1.421500    
 C    2.068200     -0.1715000     -2.2600001E-02
 C  -0.7709000       1.238100      0.8957000    
 C    1.964200       1.081300      0.6165000    
 C   -2.259200      0.3700000     -0.7888000    
 C    3.057600     -0.3447000      -1.000100    
 C   -1.640700       2.340700       1.038900    
 C    2.843400       2.120600      0.2882000    
 C   -3.104000       1.471500     -0.6477000    
 C    3.927100      0.6978000      -1.328300    
 C   -2.802000       2.452300      0.2806000    
 C    3.821300       1.927200     -0.6846000    
 H  -0.1702000      -1.142000      -1.341400    
 H    1.041900      -1.273700       1.469000    
 H   4.6200000E-02  -4.374500     -0.1682000    
 H   0.2239000      -3.684800       1.472400    
 H    2.337500      -3.070900      0.4756000    
 H    1.583700      -2.804100      -1.105400    
 H   -1.267400      -3.046800      -1.893200    
 H   -2.153300      -4.048700     -0.6942000    
 H   -2.745800      -2.415400      -1.077000    
 H   -2.145800      -3.362000       1.706600    
 H   -1.199900      -1.918600       2.208300    
 H   -2.691100      -1.729200       1.219300    
 H   -2.503600     -0.3674000      -1.549300    
 H    3.172000      -1.288300      -1.524900    
 H   -1.410200       3.145100       1.736100    
 H    2.775300       3.087700      0.7806000    
 H    4.689000      0.5475000      -2.087800    
 H   -3.443600       3.319200      0.4117000    
 H    4.500400       2.735100     -0.9407000    


%chk=000044146-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044146

1 1
Cl -4.496264 1.603736 -1.912944
S 0.685976 1.235815 1.941144
N -0.999241 -2.458003 0.185735
C -0.271322 -1.105545 -0.336011
C 1.131402 -1.279399 0.296197
C 0.177654 -3.492440 0.294691
C 1.468050 -2.733753 -0.079745
C -1.090760 0.152156 -0.106119
C -2.053360 -2.964276 -0.784701
C -1.645981 -2.238417 1.548046
C 2.100709 -0.174320 -0.075570
C -0.830818 1.152296 0.879044
C 1.990611 1.054192 0.628548
C -2.206149 0.342503 -0.972379
C 3.110920 -0.301334 -1.057917
C -1.741987 2.223669 1.050682
C 2.868972 2.127023 0.382430
C -3.092843 1.415481 -0.786693
C 3.997551 0.769547 -1.315074
C -2.891280 2.353227 0.244987
C 3.882328 1.978895 -0.593876
H -0.186309 -1.288302 -1.425411
H 1.014942 -1.218888 1.398948
H -0.048587 -4.342122 -0.367189
H 0.198933 -3.846952 1.336916
H 2.334081 -3.123525 0.478673
H 1.686311 -2.832947 -1.158258
H -1.600833 -3.093879 -1.779997
H -2.434981 -3.932472 -0.422882
H -2.882931 -2.245114 -0.837760
H -2.023569 -3.205131 1.917458
H -0.902345 -1.833397 2.249925
H -2.476432 -1.525043 1.444607
H -2.363597 -0.332292 -1.820120
H 3.226871 -1.238210 -1.613738
H -1.527836 2.987753 1.804190
H 2.761211 3.064007 0.936831
H 4.780187 0.658294 -2.072348
H -3.581594 3.189078 0.387764
H 4.571310 2.806190 -0.790687


