%chk=000045637.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045637

0 1
 Cl   5.138100       2.333000      0.1422000    
 N   -5.392800      0.1055000      0.1665000    
 N   0.1496000     -0.1017000     -0.5940000    
 N   0.7288000     -0.2162000      0.5117000    
 C   -3.997100      5.3100001E-02 -2.6600000E-02
 C   -3.248700       1.230200     -2.7600000E-02
 C   -3.364400      -1.175600     -0.2152000    
 C   -1.242100     -4.9899999E-02 -0.4045000    
 C   -1.867700       1.178600     -0.2170000    
 C   -1.983400      -1.227300     -0.4045000    
 C   -6.150900       1.263200     -0.2651000    
 C   -6.090400      -1.003600      0.7869000    
 C    4.875700     -0.3716000     -5.4099999E-02
 C    2.113500     -0.2679000      0.3227000    
 C    4.243300      0.8572000      0.1345000    
 C    4.127100      -1.548800     -5.4200001E-02
 C    2.862100      0.9090000      0.3228000    
 C    2.746100      -1.496800      0.1341000    
 C    6.353100     -0.4704000     -0.2586000    
 H   -3.708300       2.202100      0.1284000    
 H   -3.918600      -2.109700     -0.2319000    
 H   -1.291500       2.100000     -0.2143000    
 H   -1.498400      -2.188300     -0.5536000    
 H   -6.055700       2.080700      0.4571000    
 H   -7.217100       1.026600     -0.3554000    
 H   -5.822000       1.613600      -1.250000    
 H   -5.534100      -1.398600       1.644500    
 H   -6.257400      -1.809800      6.4900003E-02
 H   -7.070500     -0.6918000       1.165000    
 H    4.602600      -2.515200     -0.1993000    
 H    2.363000       1.864300      0.4714000    
 H    2.171300      -2.419400      0.1333000    
 H    6.654800      7.8800000E-02  -1.156600    
 H    6.889100     -7.3500000E-02  0.6098000    
 H    6.678200      -1.508200     -0.3914000    


%chk=000045637-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045637

0 1
Cl 5.090680 2.339742 -0.339484
N -5.551346 0.120459 0.110547
N 0.117136 0.355007 -0.056205
N 0.802116 -0.764906 0.032938
C -4.158765 0.152471 0.071479
C -3.447583 1.390824 -0.067714
C -3.386807 -1.058189 0.170414
C -1.290162 0.207122 -0.006857
C -2.047445 1.407595 -0.104769
C -1.990440 -1.029604 0.131812
C -6.320385 1.370446 0.021565
C -6.262199 -1.160158 0.242976
C 5.089766 -0.458429 -0.094049
C 2.220483 -0.588408 -0.016446
C 4.271385 0.701033 -0.177010
C 4.406498 -1.697386 0.030453
C 2.874719 0.671436 -0.142350
C 2.999910 -1.770739 0.069730
C 6.600669 -0.391491 -0.134111
H -3.991696 2.335369 -0.147748
H -3.892808 -2.021421 0.280567
H -1.501574 2.351223 -0.211279
H -1.406359 -1.952202 0.208132
H -6.063726 2.066755 0.844676
H -7.395753 1.144995 0.091005
H -6.141843 1.894191 -0.938984
H -6.011176 -1.673738 1.192646
H -6.024919 -1.847869 -0.592843
H -7.347927 -0.977791 0.232749
H 5.000562 -2.615881 0.097440
H 2.269386 1.579272 -0.208321
H 2.480888 -2.729435 0.166618
H 6.956591 0.075590 -1.071022
H 6.997180 0.225761 0.693322
H 7.040244 -1.400043 -0.057979


