%chk=000127103.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127103

0 1
 Cl  -5.933800       1.096700      -1.499500    
 S   0.7857000      -2.584200      0.2165000    
 S   -2.040700      -2.854200       1.281400    
 S    2.728200       4.024800      3.8400002E-02
 O   0.9365000     -0.1151000       1.900000    
 O  -0.5554000       2.866500      -1.392500    
 O   -1.009900       4.341100      0.2688000    
 N   0.9208000       1.293500      5.7200000E-02
 N   -1.356900      -1.179900     -0.5575000    
 C    1.556400      -1.017600     -0.2674000    
 C    3.063300      -1.124500     -0.3682000    
 C   0.4792000       2.487000      0.7423000    
 C    1.115400      7.7000000E-02  0.6987000    
 C    1.652800       3.287000       1.313000    
 C    3.631600      -1.554800      -1.554200    
 C    3.838600     -0.7898000      0.7279000    
 C  -0.9019000      -2.119900      0.2376000    
 C   -2.716500      -1.007200     -0.3424000    
 C   -3.274600      -1.839300      0.6330000    
 C  -0.4311000       3.337000     -0.1284000    
 C    5.019900      -1.653700      -1.647100    
 C    5.226900     -0.8885000      0.6352000    
 C    5.817500      -1.320600     -0.5523000    
 C   -3.555100     -8.7499999E-02  -1.008700    
 C   -4.638100      -1.783200      0.9637000    
 C   -4.913500     -2.6300000E-02 -0.6845000    
 C   -5.445900     -0.8641000      0.2892000    
 H    1.171400     -0.7656000      -1.264600    
 H  -0.1465000       2.152800       1.580200    
 H    1.120100       1.367700     -0.9363000    
 H    2.277400       2.648200       1.946500    
 H    1.279900       4.107700       1.935200    
 H    3.019600      -1.817400      -2.412200    
 H    3.418900     -0.4665000       1.673800    
 H    5.479900      -1.990500      -2.571600    
 H    5.848200     -0.6329000       1.488500    
 H    6.898400      -1.398500     -0.6242000    
 H   -3.134400      0.5664000      -1.768400    
 H   -5.060500      -2.434200       1.723000    
 H   -6.503000     -0.8162000      0.5412000    
 H    1.818800       4.869400     -0.4691000    
 H   -1.153000       3.424400      -1.934600    


%chk=000127103-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127103

0 1
Cl -5.207733 1.460977 -2.903572
S 0.877391 -1.710552 1.307640
S -2.107589 -2.576819 0.980190
S -0.796101 3.779950 -1.423817
O 2.991179 1.323099 1.401720
O -0.638812 2.004602 2.639546
O -1.141858 4.158377 1.937767
N 0.901300 1.583521 0.403256
N -1.049652 -0.418628 -0.236131
C 1.998971 -0.580721 0.147402
C 3.325658 -1.278489 -0.015851
C 0.747537 2.953209 0.882326
C 2.025297 0.852227 0.726735
C 0.685072 3.990215 -0.258131
C 3.575780 -1.986973 -1.220957
C 4.316255 -1.272775 1.002313
C -0.731891 -1.406359 0.583253
C -2.399607 -0.467670 -0.640919
C -3.157590 -1.550658 -0.090440
C -0.439720 3.126026 1.839770
C 4.794988 -2.671345 -1.413699
C 5.532315 -1.962614 0.808690
C 5.777108 -2.662143 -0.396164
C -3.016148 0.466970 -1.505480
C -4.521833 -1.718323 -0.391666
C -4.376140 0.278031 -1.794899
C -5.137326 -0.788999 -1.260791
H 1.430239 -0.583974 -0.797615
H 1.665053 3.159206 1.479927
H 0.101454 1.089694 -0.046577
H 1.571488 3.881601 -0.901109
H 0.644946 5.012290 0.147774
H 2.813232 -2.000126 -2.009702
H 4.139945 -0.708136 1.921157
H 4.977424 -3.208926 -2.350572
H 6.292607 -1.950311 1.597333
H 6.723700 -3.194700 -0.541369
H -2.438944 1.302614 -1.911163
H -5.106297 -2.542995 0.025669
H -6.194738 -0.891166 -1.518831
H -1.722060 4.349912 -0.565753
H -1.390301 2.175882 3.270342


