%chk=000095478.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095478

0 1
 Cl  -4.824900       3.425600      0.4615000    
 N   0.2576000      -1.062800      0.5816000    
 N    4.879100       1.091800     -0.5330000    
 N   -3.497600      -1.147600      -1.290800    
 C    1.204600      -2.152700      0.4707000    
 C    2.618800      -1.665100      0.8138000    
 C    3.072000     -0.5013000     -7.6499999E-02
 C    4.455800     -3.0000001E-04  0.3359000    
 C   0.7708000      -3.272100       1.411500    
 C  -0.9852000      -1.064800     -2.5599999E-02
 C   -1.901400      1.1500000E-02  9.3300000E-02
 C    6.201300       1.571700     -0.1569000    
 C   -1.369400      -2.173600     -0.7939000    
 C   -3.149800     -7.2899997E-02 -0.5580000    
 C   -1.571300       1.148600      0.8501000    
 C   -2.612300      -2.165200      -1.393900    
 C   -4.031100      0.9966000     -0.4258000    
 C    6.658000       2.701700      -1.056100    
 C   -2.471800       2.203600      0.9654000    
 C   -3.703100       2.127300      0.3265000    
 H    1.257000      -2.529300     -0.5579000    
 H    3.326900      -2.497400      0.7155000    
 H    2.651700      -1.342600       1.863100    
 H    3.089400     -0.8309000      -1.122900    
 H    2.359800      0.3300000     -1.2000000E-02
 H    4.424800      0.3359000       1.379500    
 H    5.170900     -0.8292000      0.2701000    
 H   0.4664000     -0.3489000       1.267100    
 H    1.476800      -4.108200       1.361600    
 H  -0.2210000      -3.669900       1.180500    
 H   0.7426000      -2.923400       2.450600    
 H    4.206200       1.856100     -0.4810000    
 H    6.196800       1.927000      0.8805000    
 H    6.931000      0.7563000     -0.2264000    
 H  -0.7451000      -3.043000     -0.9584000    
 H  -0.6208000       1.259800       1.362400    
 H   -2.944800      -3.003200      -1.997900    
 H   -4.999400      0.9469000     -0.9228000    
 H    6.706500       2.380500      -2.102000    
 H    5.978600       3.558500     -0.9929000    
 H    7.656200       3.041400     -0.7617000    
 H   -2.199400       3.075900       1.553500    


%chk=000095478-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095478

0 1
Cl -5.031313 3.459616 0.638565
N 0.205687 -1.106724 0.640939
N 5.010101 1.004282 -0.549123
N -3.505222 -1.008655 -1.513806
C 1.216193 -2.184342 0.561891
C 2.597140 -1.612165 0.966635
C 3.166388 -0.584996 -0.036181
C 4.474730 0.064449 0.455910
C 0.821195 -3.402258 1.433888
C -0.995403 -1.082599 -0.044942
C -1.932064 0.019336 0.144046
C 6.282915 1.658892 -0.173891
C -1.367217 -2.095436 -0.960812
C -3.166892 -0.003171 -0.614237
C -1.694963 1.115989 1.031225
C -2.603215 -2.003662 -1.654770
C -4.110990 1.062790 -0.449570
C 6.745166 2.632262 -1.271427
C -2.623801 2.150914 1.183650
C -3.829357 2.101245 0.430050
H 1.278722 -2.504836 -0.497594
H 3.303016 -2.458778 1.070813
H 2.515164 -1.156315 1.978340
H 3.361846 -1.074899 -1.009246
H 2.410251 0.204199 -0.228702
H 4.293670 0.546744 1.453585
H 5.237263 -0.723032 0.625480
H 0.375064 -0.391618 1.348184
H 1.525034 -4.239707 1.274438
H -0.196132 -3.754492 1.189313
H 0.840987 -3.134951 2.506610
H 4.301575 1.698281 -0.829759
H 6.214380 2.203446 0.803013
H 7.044531 0.865527 -0.037341
H -0.723078 -2.957348 -1.148410
H -0.771303 1.181290 1.618833
H -2.874649 -2.794914 -2.364783
H -5.033650 1.019160 -1.033242
H 6.861990 2.100022 -2.231495
H 6.009868 3.446931 -1.418311
H 7.711268 3.096743 -1.003942
H -2.433697 2.985081 1.864478


