%chk=000031118.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031118

0 1
 Cl   2.054500       3.538700     -0.5140000    
 O   -4.623100      -2.239900     -0.5840000    
 O   0.1079000     -0.5054000       1.820200    
 O    3.902900       1.444000      -1.401600    
 N   -3.583700      0.3794000     -0.1836000    
 N   1.7899999E-02   2.153000       1.291800    
 C   -3.228500       1.717900     -0.6505000    
 C   -2.823400     -0.6459000     -0.9118000    
 C   -5.025400      0.1395000     -0.3350000    
 C   -1.745400       1.991800     -0.3932000    
 C   -3.219800      -2.034000     -0.4168000    
 C   -5.369600      -1.266800      0.1474000    
 C   -1.381600       1.892600       1.086600    
 C    1.011500       1.399400      0.7310000    
 C   0.9765000     -5.1800001E-02   1.081600    
 C    2.012300     -0.9393000      0.5196000    
 C    3.003100     -0.4344000     -0.3205000    
 C    1.975500       1.861500     -8.0100000E-02
 C    3.032700      0.9980000     -0.6628000    
 C    1.996700      -2.303800      0.8363000    
 C    3.979100      -1.290800     -0.8453000    
 C    2.970300      -3.154700      0.3122000    
 C    3.959900      -2.648900     -0.5274000    
 H   -3.444300       1.842700      -1.719300    
 H   -3.819700       2.468800     -0.1113000    
 H   -1.745900     -0.5612000     -0.7483000    
 H   -3.016400     -0.5729000      -1.989900    
 H   -5.320500      0.2466000      -1.387000    
 H   -5.596300      0.8663000      0.2540000    
 H   -1.104700       1.362400      -1.019200    
 H   -1.534900       3.016500     -0.7302000    
 H   -2.699900      -2.800800      -1.000100    
 H   -2.950900      -2.180000      0.6367000    
 H   -5.174100      -1.385800       1.220100    
 H   -6.432500      -1.468400     -1.9700000E-02
 H   -1.677200      0.9325000       1.515700    
 H   -1.951900       2.647200       1.642400    
 H   0.2404000       3.145900       1.329400    
 H    1.235300      -2.723600       1.488400    
 H    4.761400     -0.9205000      -1.502500    
 H    2.956100      -4.212200      0.5590000    
 H    4.717300      -3.312300     -0.9349000    


%chk=000031118-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031118

0 1
Cl 2.626788 3.686306 0.766030
O -5.289247 -2.179156 0.232872
O -0.068893 -0.662890 -0.153576
O 4.880584 1.697892 0.448693
N -3.895314 0.340968 -0.191381
N 0.075509 2.128976 0.507159
C -3.490573 1.564585 -0.925179
C -3.433333 -0.915640 -0.843046
C -5.363836 0.293996 0.033865
C -1.963264 1.791081 -0.948407
C -3.833165 -2.127009 0.013041
C -5.730438 -0.934841 0.881744
C -1.361703 1.779038 0.476572
C 1.191490 1.345854 0.349116
C 1.068199 -0.131467 0.050762
C 2.317646 -0.936692 -0.016600
C 3.594787 -0.327141 0.118004
C 2.480024 1.892507 0.450733
C 3.729966 1.155108 0.345580
C 2.221806 -2.334396 -0.234463
C 4.762463 -1.116751 0.032985
C 3.389849 -3.119403 -0.313313
C 4.661801 -2.509251 -0.179889
H -3.864835 1.554814 -1.981851
H -3.977056 2.424572 -0.422203
H -2.334424 -0.899662 -0.936681
H -3.877700 -1.023029 -1.865037
H -5.924528 0.247374 -0.934321
H -5.676332 1.214107 0.564537
H -1.459253 1.019040 -1.555826
H -1.765593 2.766508 -1.434921
H -3.578332 -3.071490 -0.495089
H -3.308451 -2.077246 0.991536
H -5.259608 -0.847233 1.885149
H -6.823568 -1.029416 0.992411
H -1.531920 0.793954 0.932140
H -1.880405 2.531743 1.100941
H 0.290065 3.120377 0.664343
H 1.227758 -2.780113 -0.338944
H 5.730380 -0.616952 0.136635
H 3.314506 -4.199174 -0.478219
H 5.569753 -3.118548 -0.242502


