%chk=000050528.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050528

0 1
 Cl  -4.658800       3.577200      -1.658000    
 O   -3.455000      -3.311700      0.7160000    
 N    1.084800       1.247300      0.6981000    
 N    1.496900     -0.9174000     -0.1107000    
 N    3.191000      0.6810000     -0.2669000    
 C   0.4451000       3.475500       1.498200    
 C    1.548000       2.629100      0.8517000    
 C  -0.8235000       3.501400      0.7147000    
 C    1.899800      0.3842000      0.1682000    
 C   0.2403000      -1.525300      9.9299997E-02
 C   -1.024300       4.483300     -0.2556000    
 C   -1.808700       2.542600      0.9509000    
 C    4.339000     -0.1432000     -0.3190000    
 C  -0.2255000      -2.490600     -0.7934000    
 C  -0.5356000      -1.160500       1.199600    
 C   -2.210100       4.506400     -0.9895000    
 C   -2.994700       2.565700      0.2170000    
 C   -2.243200      -2.726000      0.5141000    
 C   -3.195400       3.547600     -0.7532000    
 C   -1.467200      -3.090900     -0.5861000    
 C   -1.777400      -1.760800       1.406900    
 C    4.413200      -1.287000      0.4759000    
 C    5.397600      0.1882000      -1.164800    
 C    5.546000      -2.099400      0.4251000    
 C    6.530400     -0.6243000      -1.215800    
 C    6.604500      -1.768000     -0.4209000    
 C   -4.169300      -3.742100     -0.4418000    
 C   -5.631300      -3.711700     -0.1425000    
 C   -6.516900      -2.970700     -0.8177000    
 H   0.8144000       4.499200       1.640400    
 H   0.2403000       3.095600       2.508100    
 H    1.796200       3.057900     -0.1270000    
 H    2.438100       2.666600       1.490800    
 H    2.084100      -1.447300     -0.7495000    
 H  -0.2633000       5.234300     -0.4505000    
 H   -1.669900       1.777100       1.709100    
 H    3.418400       1.656100     -0.4412000    
 H   0.3721000      -2.787300      -1.651700    
 H  -0.1896000     -0.4465000       1.940100    
 H   -2.352600       5.277100      -1.742700    
 H   -3.753900       1.813000      0.4130000    
 H   -1.779700      -3.857100      -1.289300    
 H   -2.374000      -1.478900       2.270200    
 H    3.626200      -1.557200       1.173600    
 H    5.351200       1.076500      -1.789500    
 H    5.608000      -2.985400       1.050200    
 H    7.354800     -0.3661000      -1.874100    
 H    7.487400      -2.399500     -0.4591000    
 H   -3.876400      -4.770600     -0.6816000    
 H   -3.963500      -3.098500      -1.307200    
 H   -5.987900      -4.336000      0.6726000    
 H   -6.214800      -2.331800      -1.640000    
 H   -7.568000      -2.994300     -0.5516000    


%chk=000050528-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050528

0 1
Cl -3.537129 6.604639 -1.954226
O -3.792951 -3.340626 0.531230
N 0.875622 1.423611 0.396715
N 1.159559 -0.771597 -0.483370
N 3.042070 0.641871 -0.332915
C 0.464722 3.548052 1.630917
C 1.501627 2.675337 0.878126
C -0.521840 4.290437 0.737192
C 1.646302 0.478205 -0.093063
C -0.096480 -1.381715 -0.221163
C -0.666441 5.697455 0.846307
C -1.322261 3.603412 -0.215915
C 4.067079 -0.341794 -0.379572
C -0.296026 -2.697458 -0.714210
C -1.147612 -0.754240 0.504799
C -1.578754 6.412590 0.035225
C -2.238359 4.299478 -1.035556
C -2.542700 -2.757981 0.243700
C -2.351586 5.695951 -0.895802
C -1.506695 -3.386391 -0.490597
C -2.350650 -1.444260 0.735357
C 3.982512 -1.565531 0.343728
C 5.239352 -0.066935 -1.137565
C 5.044107 -2.493944 0.281980
C 6.300595 -0.994438 -1.173648
C 6.207939 -2.220031 -0.473008
C -4.014194 -4.724276 0.063865
C -5.361989 -5.159684 0.573514
C -6.315846 -5.735628 -0.197554
H 1.011819 4.285279 2.249522
H -0.075930 2.879325 2.328690
H 1.914149 3.280634 0.036421
H 2.348954 2.457756 1.568009
H 1.807139 -1.334107 -1.039282
H -0.061101 6.249962 1.575330
H -1.209268 2.519746 -0.318581
H 3.332579 1.602943 -0.518677
H 0.502607 -3.194755 -1.280423
H -0.998332 0.264174 0.866908
H -1.682988 7.497683 0.127625
H -2.852358 3.764237 -1.765965
H -1.623156 -4.396288 -0.894229
H -3.164816 -0.971159 1.293301
H 3.110845 -1.773030 0.971914
H 5.310509 0.870308 -1.703543
H 4.965588 -3.430074 0.846252
H 7.196837 -0.763471 -1.760118
H 7.029094 -2.943128 -0.509091
H -3.212075 -5.373947 0.478876
H -3.969440 -4.769350 -1.043414
H -5.530719 -5.001928 1.647192
H -6.174514 -5.887120 -1.275001
H -7.268095 -6.071396 0.226690


