%chk=000049429.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049429

0 1
 Cl   1.908100      -4.481100       1.011000    
 N  -9.3000000E-03  -1.101800     -5.0600000E-02
 C   -1.332100      -1.663000     -0.3227000    
 C   0.3211000     -7.1599998E-02  -1.034500    
 C    1.004000      -2.156300     -5.4600000E-02
 C   -2.409400     -0.6128000     -0.2664000    
 C    1.678900      0.5287000     -0.7837000    
 C   0.6689000      -3.203600      0.9960000    
 C   -2.416600      0.3035000      0.7758000    
 C    2.042000      0.8812000      0.5085000    
 C   -3.379300     -0.5750000      -1.258500    
 C    2.548700      0.7196000      -1.848100    
 C   -3.413900       1.277300      0.8272000    
 C    3.300500       1.436000      0.7410000    
 C   -4.376500      0.3988000      -1.207100    
 C    3.807100       1.274500      -1.615600    
 C   -4.394000       1.325100     -0.1642000    
 C    4.183100       1.632700     -0.3210000    
 C   -3.433800       2.267100       1.942700    
 C    3.702500       1.820500       2.124800    
 H   -1.642000      -2.388200      0.4358000    
 H   -1.345100      -2.178000      -1.292600    
 H  -0.3806000      0.7700000      -1.014400    
 H   0.2801000     -0.4911000      -2.049600    
 H    2.002300      -1.775400      0.1838000    
 H    1.070900      -2.629900      -1.043800    
 H   0.6255000      -2.770700       2.000400    
 H  -0.2585000      -3.742600      0.7998000    
 H   -1.666500      0.2643000       1.561700    
 H    1.354600      0.7477000       1.340000    
 H   -3.377100      -1.291000      -2.075300    
 H    2.267700      0.4459000      -2.861100    
 H   -5.139900      0.4355000      -1.978800    
 H    4.494100       1.428300      -2.442700    
 H   -5.177600       2.077400     -0.1346000    
 H    5.165600       2.066000     -0.1535000    
 H   -2.416800       2.518200       2.263100    
 H   -3.912600       3.203000       1.635200    
 H   -3.981600       1.858700       2.797600    
 H    4.789800       1.776700       2.249400    
 H    3.366200       2.838600       2.344400    
 H    3.268000       1.138700       2.863800    


%chk=000049429-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049429

0 1
Cl 1.844664 -4.422553 1.567741
N -0.024252 -1.340617 -0.482405
C -1.440209 -1.711390 -0.723414
C 0.495470 -0.349581 -1.457920
C 0.859648 -2.508324 -0.253236
C -2.427021 -0.578954 -0.449714
C 1.774105 0.339249 -0.993416
C 0.862632 -2.830801 1.246624
C -2.294979 0.232695 0.703559
C 1.875023 0.859529 0.320730
C -3.517391 -0.355682 -1.324798
C 2.866277 0.500347 -1.879862
C -3.229308 1.254251 1.003430
C 3.035482 1.540174 0.763316
C -4.459029 0.659584 -1.042009
C 4.032784 1.176476 -1.455189
C -4.315595 1.459877 0.112655
C 4.118038 1.690862 -0.142984
C -3.086548 2.094375 2.261844
C 3.110490 2.118309 2.166947
H -1.674286 -2.561472 -0.052459
H -1.596168 -2.086221 -1.766054
H -0.300960 0.408533 -1.591363
H 0.668191 -0.810294 -2.462084
H 1.887297 -2.257422 -0.566501
H 0.545306 -3.403744 -0.835139
H 1.362670 -2.043808 1.827973
H -0.145453 -3.027448 1.641769
H -1.436419 0.061111 1.364531
H 1.028298 0.717853 1.003668
H -3.626425 -0.970478 -2.227048
H 2.805579 0.094746 -2.897487
H -5.298043 0.833006 -1.725515
H 4.878107 1.293014 -2.142975
H -5.044966 2.251577 0.324004
H 5.028892 2.207392 0.183961
H -2.025809 2.253715 2.525283
H -3.562409 3.083900 2.144712
H -3.568013 1.598246 3.127149
H 4.154217 2.193799 2.519424
H 2.677383 3.137120 2.200080
H 2.549230 1.500949 2.890772


