%chk=000049907.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049907

0 1
 Cl   2.239200     -9.6299998E-02   2.620200    
 Cl   2.942200      0.4506000      -2.766000    
 N   -3.928800     -0.7740000      6.1400000E-02
 N  -0.3619000      0.2403000     -9.1200002E-02
 N  -6.1999999E-02   2.525100      0.3834000    
 N    1.833800       1.227100     -6.5099999E-02
 C   -2.491600     -0.9137000     -0.1346000    
 C   -4.476900      0.2407000     -0.8408000    
 C   -4.605200      -2.055800     -0.1469000    
 C   -1.794500      0.4217000      8.3200000E-02
 C   -5.963200      0.4439000     -0.6003000    
 C   -4.052300      -3.125400      0.7797000    
 C   0.4490000       1.249200      6.7900002E-02
 C    2.659100      8.0600001E-02 -7.3799998E-02
 C  -0.4412000       3.510100     -0.6280000    
 C  -0.1429000       2.978100       1.770800    
 C    2.913200     -0.6092000       1.113800    
 C    3.224400     -0.3670000      -1.269800    
 C    3.728400      -1.741100       1.105200    
 C    4.039600      -1.498900      -1.278300    
 C    4.291500      -2.186000     -9.0800002E-02
 H   -2.255200      -1.299300      -1.135600    
 H   -2.054700      -1.609400      0.5904000    
 H   -4.046200       1.225700     -0.6439000    
 H   -4.296500     -1.6000000E-03  -1.895400    
 H   -5.669300      -1.974400      9.7599998E-02
 H   -4.528300      -2.395300      -1.187500    
 H   -2.108100       1.158800     -0.6597000    
 H   -2.020000      0.7984000       1.088100    
 H   -6.297200       1.354500      -1.110900    
 H   -6.190100      0.5661000      0.4644000    
 H   -6.567700     -0.3754000      -1.001400    
 H   -4.719900      -3.994600      0.7740000    
 H   -3.986600      -2.773500       1.815000    
 H   -3.069800      -3.488200      0.4619000    
 H    2.329700       2.107800     -0.1599000    
 H  -0.3835000       3.078000      -1.632500    
 H   0.2318000       4.372100     -0.5867000    
 H   -1.468000       3.851600     -0.4637000    
 H   -1.042900       3.579700       1.933100    
 H   0.7348000       3.583400       2.017400    
 H  -0.1817000       2.127500       2.458800    
 H    3.935000      -2.288000       2.021700    
 H    4.486500      -1.859000      -2.201500    
 H    4.926300      -3.067300     -9.7499996E-02


%chk=000049907-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049907

0 1
Cl 0.880930 -1.052749 1.914558
Cl 4.023088 1.383362 -2.036922
N -3.757579 -0.863264 -0.309197
N -0.342576 0.742255 -0.584594
N 0.112637 2.727351 0.792427
N 1.848631 1.303991 0.090692
C -2.283194 -0.761347 -0.461330
C -4.478516 -0.679477 -1.596294
C -4.192199 -2.070900 0.439493
C -1.799869 0.704655 -0.360807
C -5.911287 -0.140416 -1.417360
C -3.923055 -1.961594 1.953022
C 0.437477 1.553703 0.078177
C 2.416620 0.045165 -0.173822
C -0.982666 3.604407 0.360301
C 0.795343 3.112527 2.037679
C 2.068032 -1.140890 0.534208
C 3.464503 -0.106687 -1.126436
C 2.652574 -2.389304 0.262629
C 4.094812 -1.330314 -1.403382
C 3.668918 -2.487291 -0.714470
H -1.925080 -1.188782 -1.426974
H -1.789294 -1.339275 0.338782
H -3.902979 0.045644 -2.202069
H -4.504065 -1.629591 -2.189857
H -5.280146 -2.193057 0.284403
H -3.709612 -2.998426 0.037097
H -2.329022 1.299636 -1.136092
H -2.108356 1.108975 0.627131
H -6.398393 0.001014 -2.400722
H -5.888297 0.828492 -0.888377
H -6.541253 -0.832210 -0.829072
H -4.268752 -2.873076 2.476436
H -4.454658 -1.088202 2.369727
H -2.845900 -1.838503 2.167699
H 2.437878 2.110175 -0.139170
H -1.296043 3.337736 -0.660580
H -0.632673 4.656680 0.347483
H -1.867499 3.546376 1.026596
H 0.061456 3.213294 2.863597
H 1.324917 4.082856 1.934679
H 1.523672 2.335525 2.314782
H 2.334752 -3.268549 0.829824
H 4.890489 -1.378094 -2.151538
H 4.134531 -3.454220 -0.926157


