%chk=000004878.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004878

0 1
 Cl  -6.123400     -0.6558000     -1.9999999E-04
 N    1.781800     -0.8193000      9.9999997E-05
 N   0.5569000      -1.322800      3.9999999E-04
 N    2.998400       1.264900     -3.9999999E-04
 N    1.460700       3.158500     -6.9999998E-04
 N  -0.9115000       2.893800      6.9999998E-04
 C    2.925400      -1.772700      3.9999999E-04
 C    3.791400      -1.547600       1.259800    
 C    3.784100      -1.558100      -1.265900    
 C    2.502000      -3.262500      7.1000000E-03
 C    1.886000      0.5132000     -1.9999999E-04
 C   0.5772000      0.9626000     -3.0000001E-04
 C  -0.1931000     -0.2152000      9.9999997E-05
 C   -1.630200     -0.3234000       0.000000    
 C   0.3814000       2.339600     -5.0000002E-04
 C   -2.320400     -0.3757000      -1.208000    
 C   -2.320800     -0.3734000       1.208100    
 C    2.684600       2.578500     -6.9999998E-04
 C   -3.711500     -0.4788000      -1.207900    
 C   -3.711800     -0.4766000       1.207900    
 C   -4.407200     -0.5293000       0.000000    
 H    4.600900      -2.284600       1.318500    
 H    4.262300     -0.5600000       1.274200    
 H    3.189000      -1.639200       2.171200    
 H    4.250600     -0.5686000      -1.293000    
 H    4.596100      -2.292700      -1.321200    
 H    3.177100      -1.661000      -2.173100    
 H    3.374100      -3.926600      7.4999998E-03
 H    1.905200      -3.502700      0.8948000    
 H    1.900700      -3.509700     -0.8758000    
 H   -1.792400     -0.3366000      -2.157700    
 H   -1.792900     -0.3324000       2.157800    
 H    3.526400       3.262700     -8.9999998E-04
 H   -1.734300       2.309200      2.0000001E-03
 H   -1.009000       3.900300      1.6000000E-03
 H   -4.240200     -0.5185000      -2.156800    
 H   -4.240700     -0.5145000       2.156800    


%chk=000004878-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004878

0 1
Cl -6.347220 -0.619924 0.002737
N 1.896946 -0.883450 0.000467
N 0.574325 -1.346918 0.001230
N 3.042332 1.318927 -0.002175
N 1.466929 3.207480 -0.003355
N -0.864014 2.953026 -0.001984
C 3.061354 -1.841357 0.000545
C 3.904956 -1.576170 1.275966
C 3.903058 -1.578571 -1.276635
C 2.519671 -3.285817 0.002340
C 1.936947 0.503881 -0.000870
C 0.575855 0.951446 -0.000754
C -0.224521 -0.240641 0.000544
C -1.710355 -0.351848 0.001112
C 0.378530 2.371725 -0.002016
C -2.433608 -0.398028 -1.220043
C -2.433153 -0.391120 1.222783
C 2.715586 2.639392 -0.003417
C -3.844068 -0.481365 -1.228776
C -3.843615 -0.474382 1.232515
C -4.527985 -0.516193 0.002102
H 4.770961 -2.261789 1.293404
H 4.275923 -0.537914 1.288336
H 3.302719 -1.754221 2.184874
H 4.274305 -0.540440 -1.291279
H 4.768918 -2.264379 -1.294269
H 3.299375 -1.758021 -2.184296
H 3.379084 -3.979898 0.002420
H 1.901389 -3.482991 0.893356
H 1.900085 -3.484761 -0.887364
H -1.889551 -0.378075 -2.170232
H -1.888758 -0.365864 2.172657
H 3.552619 3.344500 -0.004447
H -1.712237 2.390854 -0.000938
H -0.916793 3.970402 -0.002996
H -4.396943 -0.522403 -2.171641
H -4.396148 -0.510095 2.175798


