%chk=000046296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046296

0 1
 Cl   5.474000      -1.970200       1.200800    
 O  -0.1770000       1.142900      -2.290900    
 N   -2.333700      -1.758800      -1.014300    
 N   0.3338000      0.1441000      -1.678100    
 N  -0.3959000      -1.989900      0.2755000    
 C  -0.9723000      -1.680200     -0.8516000    
 C  -0.1847000      -1.190000      -2.045400    
 C    1.257700      0.3104000     -0.7439000    
 C    1.814000     -0.8590000     -1.0800000E-02
 C   -3.207100      -1.827600      0.1344000    
 C    1.002100      -1.923100      0.4269000    
 C    1.740700       1.671900     -0.4154000    
 C   -3.657700     -0.4615000      0.5790000    
 C   -2.902400      -2.027400      -2.314800    
 C    3.197700     -0.8823000      0.2303000    
 C    1.608800      -2.981200       1.122800    
 C    3.777200      -1.949400      0.9140000    
 C    2.834400       2.197100      -1.094200    
 C    1.095600       2.410800      0.5696000    
 C    2.983100      -2.998100       1.362300    
 C   -2.905200      0.2361000       1.513600    
 C   -4.819700      8.1000000E-02  4.7899999E-02
 C    3.288900       3.479000     -0.7838000    
 C    1.550200       3.692600      0.8801000    
 C   -3.322900       1.501900       1.925100    
 C   -5.237300       1.346600      0.4596000    
 C    2.646800       4.226900      0.2032000    
 C   -4.488800       2.057500       1.398000    
 H   0.6574000      -1.851800      -2.270700    
 H  -0.7608000      -1.074300      -2.963700    
 H   -2.735700      -2.351000      0.9769000    
 H   -4.091800      -2.442600     -8.0399998E-02
 H   -2.324000      -2.783100      -2.857900    
 H   -2.954400      -1.110100      -2.910500    
 H   -3.925700      -2.413000      -2.244200    
 H    3.844300     -8.3999999E-02 -0.1204000    
 H    1.003400      -3.809200       1.486800    
 H    3.336900       1.627700      -1.871400    
 H   0.2403000       2.002900       1.101700    
 H    3.417000      -3.836800       1.900600    
 H   -1.996300     -0.1852000       1.933000    
 H   -5.409100     -0.4630000     -0.6848000    
 H    4.141500       3.895500      -1.312200    
 H    1.050000       4.274800       1.648400    
 H   -2.739500       2.055200       2.655300    
 H   -6.144800       1.779300      4.8900001E-02
 H    3.000200       5.225100      0.4444000    
 H   -4.813600       3.043200       1.718000    


%chk=000046296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046296

0 1
Cl 5.464116 -2.001297 1.897646
O 0.143600 0.917079 -2.636969
N -2.197618 -1.545247 -1.131670
N 0.654689 -0.009756 -1.821085
N -0.373741 -2.026098 0.281042
C -0.844251 -1.682500 -0.913119
C 0.134118 -1.402076 -2.043842
C 1.502119 0.209254 -0.774761
C 1.903773 -0.931545 0.085568
C -3.146383 -1.795679 -0.020129
C 0.995721 -1.955916 0.569006
C 2.017193 1.575110 -0.513052
C -3.902850 -0.544873 0.419440
C -2.775679 -1.167211 -2.438140
C 3.266501 -0.972928 0.520894
C 1.493869 -2.932211 1.487121
C 3.708882 -1.971065 1.391321
C 2.210307 2.536715 -1.548941
C 2.324988 1.956047 0.827621
C 2.833330 -2.960309 1.897127
C -3.215199 0.676914 0.635154
C -5.299453 -0.597118 0.649192
C 2.725834 3.814804 -1.250359
C 2.821133 3.241781 1.121240
C -3.912648 1.821337 1.078205
C -5.999260 0.546781 1.098442
C 3.030878 4.178053 0.082022
C -5.307018 1.759878 1.313982
H 0.968437 -2.121662 -1.983008
H -0.299950 -1.411728 -3.049637
H -2.543454 -2.197727 0.813268
H -3.865773 -2.577654 -0.334423
H -2.904685 -2.044019 -3.103635
H -2.159472 -0.403883 -2.940100
H -3.765727 -0.718555 -2.255348
H 3.965348 -0.214640 0.157234
H 0.780009 -3.669855 1.865436
H 1.945011 2.280135 -2.576005
H 2.160809 1.242836 1.641806
H 3.194929 -3.723769 2.591715
H -2.135829 0.730976 0.452365
H -5.842455 -1.535778 0.478807
H 2.878091 4.535402 -2.061659
H 3.040782 3.513094 2.159692
H -3.370422 2.759754 1.239173
H -7.079770 0.492811 1.273183
H 3.420084 5.177103 0.308021
H -5.847315 2.648933 1.657856


