%chk=000042634.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042634

0 1
 Cl  -1.749700      -1.728200      -2.630300    
 O   0.3601000       2.334400      -2.028800    
 O  -0.4342000       2.160000       1.973000    
 O   -1.578400       2.934500      -3.052600    
 O  -0.3463000      0.1002000       2.929900    
 N   -2.895100       1.685200     -0.6706000    
 N    2.577300       1.041100       1.701400    
 C   0.2096000     -0.2425000     -0.7708000    
 C   -1.124700      0.3525000     -0.5420000    
 C    1.398000      0.2382000      6.6600002E-02
 C   -2.111900     -0.1309000      0.3616000    
 C    2.721300      0.2187000     -0.3674000    
 C   -1.635600       1.469600      -1.161900    
 C    1.300900      0.7327000       1.314200    
 C   0.1280000      -1.772300     -0.6541000    
 C   -3.212500      0.7229000      0.2614000    
 C    3.465500      0.7376000      0.6943000    
 C   -2.175000      -1.216200       1.257900    
 C    3.396400     -0.1767000      -1.539300    
 C   -4.377600      0.5449000       1.015800    
 C    4.856500      0.8813000      0.6425000    
 C  -0.7289000      -2.481200      -1.459900    
 C   0.9435000      -2.367700      0.2799000    
 C   -3.768600       2.768600      -1.072900    
 C    2.941600       1.604900       2.985100    
 C   -1.003800       2.293000      -2.149000    
 C   0.1414000      0.9272000       2.132200    
 C   -3.334000      -1.406700       2.019100    
 C    4.787600     -3.8800001E-02  -1.605400    
 C   -4.417200     -0.5384000       1.898200    
 C    5.504600      0.4823000     -0.5300000    
 C  -0.7748000      -3.868900      -1.325100    
 C   0.8975000      -3.755400      0.4147000    
 C   3.8400002E-02  -4.505900     -0.3878000    
 H   0.4933000     -6.8599999E-02  -1.819300    
 H   -1.361800      -1.908400       1.425700    
 H    2.854800     -0.5859000      -2.387400    
 H   -5.230700       1.208700      0.9314000    
 H    5.421300       1.287500       1.474900    
 H    1.617100      -1.882500      0.9711000    
 H   -3.191800       3.696800      -1.102300    
 H   -4.175600       2.529900      -2.058700    
 H   -4.580300       2.894700     -0.3550000    
 H    3.257000       2.638800       2.823300    
 H    2.095200       1.577400       3.673800    
 H    3.760400       1.014100       3.404600    
 H   -3.386000      -2.237700       2.717700    
 H    5.313600     -0.3424000      -2.506600    
 H   -5.307200     -0.7047000       2.499900    
 H    6.584600      0.5809000     -0.6030000    
 H   -1.439600      -4.468100      -1.942300    
 H    1.524400      -4.252500       1.149400    
 H   1.2000001E-03  -5.586100     -0.2813000    
 H   0.7680000       2.903100      -2.716100    
 H   -1.227800       2.264600       2.540100    


%chk=000042634-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042634

0 1
Cl -1.089499 -2.004253 -2.936150
O 0.568327 1.902084 -2.109382
O -0.417859 -0.122158 2.544591
O -0.903495 3.677727 -1.985746
O 0.399051 1.877025 3.396213
N -2.800645 1.888123 -0.569953
N 2.786609 1.338600 1.646974
C 0.202439 -0.439413 -0.536215
C -1.146643 0.272272 -0.371260
C 1.382164 0.172097 0.220949
C -2.347964 -0.204384 0.277310
C 2.685266 0.294183 -0.391182
C -1.460321 1.556065 -0.898374
C 1.482804 0.799700 1.484086
C 0.124802 -1.967288 -0.389030
C -3.350785 0.821214 0.129377
C 3.536070 1.010707 0.519522
C -2.701608 -1.393198 0.984255
C 3.210335 -0.130456 -1.642385
C -4.663370 0.692461 0.648070
C 4.893397 1.287283 0.225808
C -0.430662 -2.778693 -1.408354
C 0.640712 -2.645626 0.745103
C -3.569985 3.094952 -0.914342
C 3.342704 2.021934 2.824206
C -0.635069 2.481297 -1.678925
C 0.479895 0.949652 2.545202
C -4.000354 -1.525215 1.499426
C 4.555036 0.145017 -1.942020
C -4.975964 -0.492405 1.333678
C 5.388431 0.846128 -1.014799
C -0.504702 -4.181935 -1.322235
C 0.585601 -4.050913 0.859257
C 0.007780 -4.824455 -0.173079
H 0.462605 -0.264811 -1.597970
H -1.971500 -2.191185 1.130609
H 2.581610 -0.671771 -2.357619
H -5.409168 1.483166 0.519994
H 5.538970 1.821258 0.930322
H 1.077655 -2.045550 1.548090
H -2.908927 3.817904 -1.408944
H -4.405530 2.835841 -1.590699
H -3.981555 3.551087 0.004361
H 3.914427 2.908352 2.497717
H 2.522267 2.355087 3.474388
H 4.016682 1.351373 3.390049
H -4.276893 -2.438853 2.037073
H 4.978682 -0.182820 -2.897475
H -5.981451 -0.630107 1.746985
H 6.433960 1.042368 -1.277872
H -0.948449 -4.757763 -2.139472
H 0.991831 -4.539769 1.751138
H -0.040589 -5.915837 -0.095415
H 1.094876 2.594791 -2.591217
H -1.172002 0.068707 3.165163


