%chk=000040449.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040449

0 1
 Cl -0.8388000       2.364700       1.000300    
 N   -3.017500      0.5259000     -0.3937000    
 C  -0.3258000     -0.3510000      0.6420000    
 C    1.047400       1.295300     -0.7506000    
 C    1.340400      -1.217800      -1.086100    
 C    2.181500     -0.1180000       1.043300    
 C  -0.3402000       1.023200     -9.3999997E-02
 C  -2.5000000E-02  -1.452200     -0.4078000    
 C   0.8057000     -0.3746000       1.698900    
 C    1.322000      0.1627000      -1.773900    
 C    2.160700       1.250000      0.3246000    
 C    2.442100      -1.222000     -4.8000002E-03
 C   -1.674100     -0.6697000       1.308600    
 C    1.087900       2.641400      -1.492500    
 C    1.611900      -2.317600      -2.118400    
 C    3.282900     -0.1355000       2.108800    
 C   -2.835500     -0.7418000      0.3133000    
 C   -4.130800      -1.086400       1.047300    
 C   -4.094600      0.4235000      -1.365500    
 H   -1.014600       1.044400     -0.9473000    
 H  -0.7829000      -1.468900      -1.198800    
 H  -4.1299999E-02  -2.442000      6.8200000E-02
 H   0.8172000      -1.348600       2.207200    
 H   0.6176000      0.3711000       2.481700    
 H    2.284200      0.3378000      -2.274700    
 H   0.5580000      0.1786000      -2.563200    
 H    3.136400       1.433800     -0.1463000    
 H    2.023200       2.056200       1.056200    
 H    3.424900      -1.071000     -0.4713000    
 H    2.479800      -2.203500      0.4869000    
 H   -1.899100      5.3900000E-02   2.102400    
 H   -1.595800      -1.639400       1.820500    
 H    1.011300       3.491600     -0.8073000    
 H   0.2715000       2.716900      -2.219100    
 H    2.030000       2.758400      -2.040500    
 H    2.579900      -2.168200      -2.609700    
 H    1.625800      -3.306800      -1.647800    
 H   0.8412000      -2.329200      -2.897000    
 H    3.115600      0.6416000       2.862700    
 H    4.268100      3.9200000E-02   1.662400    
 H    3.317500      -1.100600       2.626300    
 H   -2.658100      -1.552400     -0.4007000    
 H   -4.474600     -0.2599000       1.680200    
 H   -3.978300      -1.952900       1.701500    
 H   -4.941000      -1.361800      0.3645000    
 H   -3.223400       1.274200      0.2675000    
 H   -3.986200     -0.4539000      -2.012000    
 H   -4.059300       1.303000      -2.017300    
 H   -5.085600      0.4200000     -0.9018000    


%chk=000040449-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040449

0 1
Cl -0.759111 2.500156 0.994689
N -3.232661 0.444582 -0.458501
C -0.326188 -0.304635 0.556294
C 1.164444 1.326239 -0.781583
C 1.407516 -1.221223 -1.123817
C 2.198895 -0.131680 1.062725
C -0.242719 1.044876 -0.201889
C -0.005175 -1.406388 -0.506288
C 0.778581 -0.348790 1.653909
C 1.441272 0.173454 -1.803375
C 2.231001 1.247260 0.344533
C 2.467711 -1.245597 0.012987
C -1.702920 -0.577066 1.229581
C 1.227507 2.683514 -1.513210
C 1.692931 -2.331137 -2.157657
C 3.259515 -0.179372 2.182570
C -2.962928 -0.774570 0.345488
C -4.150629 -1.214067 1.252008
C -4.377659 0.398476 -1.383236
H -1.042779 1.107939 -0.957780
H -0.761214 -1.382216 -1.316049
H -0.079908 -2.398386 -0.014571
H 0.738439 -1.333317 2.164874
H 0.567360 0.426226 2.417006
H 2.435735 0.348503 -2.262356
H 0.692976 0.210676 -2.622152
H 3.235416 1.415647 -0.096056
H 2.051899 2.058014 1.077320
H 3.480771 -1.113204 -0.421375
H 2.455400 -2.237719 0.511245
H -1.907263 0.242069 1.949119
H -1.587772 -1.499027 1.836095
H 1.076037 3.521821 -0.811726
H 0.449069 2.751445 -2.297022
H 2.213692 2.809418 -1.999034
H 2.693388 -2.202295 -2.613144
H 1.663306 -3.332050 -1.686134
H 0.945349 -2.318858 -2.974174
H 3.076989 0.607637 2.938891
H 4.276930 -0.026442 1.773549
H 3.248192 -1.157193 2.701967
H -2.777915 -1.596103 -0.378310
H -4.349308 -0.451545 2.029781
H -3.925602 -2.170425 1.760877
H -5.076190 -1.356927 0.665276
H -3.213835 1.294430 0.122425
H -4.253748 -0.454809 -2.077212
H -4.393793 1.321130 -1.991411
H -5.378801 0.293231 -0.901945


