%chk=000051990.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051990

0 1
 Cl   5.722500       1.031300       1.493800    
 N   -3.990700      0.5175000     -0.1486000    
 N   0.1156000      0.3131000      -1.547800    
 N    3.493800     -0.7623000      0.6950000    
 C    1.407200      -1.368000     -0.3646000    
 C   0.3348000      -2.380100     -0.6600000    
 C   0.7896000      -3.821300     -0.4324000    
 C    1.529500      -3.945400      0.8943000    
 C    2.785500      -3.076800      0.8830000    
 C    2.533700      -1.674300      0.3948000    
 C    1.266500     -5.0000001E-02 -0.7995000    
 C   -2.257100      0.6943000      -1.910900    
 C   -3.584700       1.222400      -1.358400    
 C   -1.084700      0.7745000     -0.9339000    
 C    2.240000      0.9097000     -0.4965000    
 C    3.353100      0.5041000      0.2629000    
 C   -4.608600     -0.7670000     -0.4831000    
 C   -4.914700       1.335200      0.6393000    
 C   -4.520200      -1.722500      0.7042000    
 C   -4.150200       2.418000       1.396700    
 C    2.122700       2.241800     -0.9292000    
 C    4.323400       1.456000      0.5643000    
 C    3.106800       3.174100     -0.6137000    
 C    4.209100       2.780200      0.1341000    
 C   -5.136900      -3.073300      0.3751000    
 C   -5.086100       3.269000       2.241100    
 H  -4.0000002E-03  -2.294800      -1.699200    
 H  -0.5237000      -2.174700     -8.3999997E-03
 H    1.450100      -4.136900      -1.250200    
 H  -7.9300001E-02  -4.488700     -0.4462000    
 H   0.8683000      -3.637400       1.714200    
 H    1.805400      -4.989900       1.077300    
 H    3.211900      -3.044200       1.892300    
 H    3.536500      -3.531200      0.2249000    
 H   -2.010500       1.278600      -2.807900    
 H   -2.366000     -0.3391000      -2.261600    
 H   -3.435400       2.292700      -1.180700    
 H   -4.359900       1.160700      -2.134200    
 H   -1.308900      0.1721000     -4.6100002E-02
 H  -0.9595000       1.809100     -0.5942000    
 H   0.3389000      0.7350000      -2.445800    
 H   -4.088900      -1.250200      -1.318600    
 H   -5.650300     -0.6382000     -0.8059000    
 H   -5.444300      0.7356000       1.387700    
 H   -5.690500       1.781500      2.6000000E-03
 H   -3.469700      -1.871600      0.9840000    
 H   -5.031600      -1.324400       1.586400    
 H   -3.403600       1.954800       2.053900    
 H   -3.607800       3.088200      0.7230000    
 H    1.277100       2.586200      -1.518400    
 H    3.013700       4.202100     -0.9506000    
 H    4.973700       3.514000      0.3762000    
 H   -5.057500      -3.745800       1.235000    
 H   -4.625100      -3.543600     -0.4707000    
 H   -6.196800      -2.969200      0.1218000    
 H   -4.519200       4.032900       2.782500    
 H   -5.617800       2.657300       2.977000    
 H   -5.827200       3.776100       1.614900    


%chk=000051990-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051990

0 1
Cl 6.398554 0.147959 0.547820
N -4.029177 0.337058 -0.260584
N 0.192108 0.985619 -1.399942
N 3.527229 -0.808157 0.587781
C 1.128794 -0.826405 0.006440
C -0.175000 -1.616727 -0.005955
C 0.023986 -3.115164 0.307082
C 0.836567 -3.265857 1.609679
C 2.252579 -2.690509 1.407967
C 2.295753 -1.368204 0.648864
C 1.260611 0.401131 -0.696957
C -2.261018 1.053011 -1.919838
C -3.669067 1.303890 -1.334209
C -1.158427 1.256375 -0.862141
C 2.567480 1.041911 -0.760717
C 3.676153 0.365214 -0.114902
C -4.488886 -0.970910 -0.804307
C -4.976569 0.912372 0.733081
C -4.262392 -2.149789 0.166495
C -4.292654 1.833907 1.766128
C 2.794614 2.298159 -1.409604
C 4.974261 0.974655 -0.218625
C 4.075039 2.854424 -1.473143
C 5.185487 2.181544 -0.882222
C -4.775525 -3.486826 -0.410991
C -5.301222 2.428245 2.772992
H -0.662664 -1.481865 -0.992249
H -0.886095 -1.209801 0.743407
H 0.562961 -3.611931 -0.524341
H -0.964034 -3.606886 0.396293
H 0.314621 -2.726535 2.425812
H 0.904600 -4.326232 1.916997
H 2.774704 -2.544629 2.371490
H 2.874458 -3.412101 0.841118
H -2.104982 1.743005 -2.775392
H -2.183592 0.025620 -2.323906
H -3.694740 2.322550 -0.902224
H -4.420910 1.293700 -2.162014
H -1.365407 0.599992 -0.006809
H -1.210702 2.299559 -0.474622
H 0.472444 1.638413 -2.135124
H -3.924978 -1.175569 -1.734191
H -5.570267 -0.932486 -1.095826
H -5.452241 0.075804 1.278396
H -5.807464 1.470321 0.229021
H -3.180351 -2.216104 0.387715
H -4.766967 -1.946822 1.131345
H -3.518271 1.247221 2.296259
H -3.761902 2.657370 1.248135
H 1.959799 2.862278 -1.841588
H 4.235119 3.819128 -1.965668
H 6.189946 2.611353 -0.934442
H -4.599067 -4.320055 0.292967
H -4.264632 -3.734845 -1.360724
H -5.861986 -3.443864 -0.616346
H -4.793364 3.071638 3.513862
H -5.829701 1.629446 3.327147
H -6.065610 3.042602 2.260311


