%chk=000045844.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045844

0 1
 Cl  -1.405500      -2.004500      -2.441400    
 N   0.9864000      2.7700000E-02  9.3800001E-02
 N    3.835000     -0.1499000      0.4577000    
 C    1.862700       1.034900     -0.5306000    
 C    1.684600      -1.226600     -0.2405000    
 C    2.202300      0.4496000      -1.908400    
 C    2.082800      -1.065200      -1.714100    
 C    3.115500       1.131700      0.3731000    
 C    2.925200      -1.285400      0.6830000    
 C  -0.3851000      7.1900003E-02 -0.4041000    
 C    4.900300     -0.1062000       1.452500    
 C   -1.228400      -1.082100      0.1176000    
 C   -1.049900       1.417600     -0.1540000    
 C   -1.715500      -2.045300     -0.7440000    
 C   -1.480800      -1.121600       1.476100    
 C   -2.016300       1.858400      -1.035200    
 C  -0.6672000       2.156800      0.9468000    
 C   -2.484600      -3.088600     -0.2285000    
 C   -2.250000      -2.164900       1.991500    
 C   -2.626000       3.091800     -0.8059000    
 C   -1.277000       3.390300       1.176000    
 C   -2.751900      -3.148300       1.139200    
 C   -2.256500       3.857700      0.2995000    
 H    1.443600       2.040100     -0.6309000    
 H    1.108100      -2.141000     -7.3500000E-02
 H    3.200800      0.7362000      -2.254600    
 H    1.483000      0.7833000      -2.665400    
 H    1.326800      -1.466900      -2.391600    
 H    3.024900      -1.572800      -1.948000    
 H    3.790600       1.892100     -3.8500000E-02
 H    2.811500       1.472200       1.372500    
 H    2.591200      -1.312000       1.729500    
 H    3.466700      -2.219600      0.4898000    
 H  -0.3350000      2.2399999E-02  -1.493900    
 H    5.608200      0.6978000       1.223100    
 H    5.471400      -1.041100       1.446000    
 H    4.513100      5.4099999E-02   2.464900    
 H   -1.090300     -0.3787000       2.163700    
 H   -2.312700       1.270000      -1.898200    
 H   7.4400000E-02   1.815400       1.662000    
 H   -2.882800      -3.863000     -0.8791000    
 H   -2.455000      -2.213700       3.056900    
 H   -3.389100       3.455600      -1.487900    
 H  -0.9933000       3.984700       2.039600    
 H   -3.349900      -3.961100       1.540800    
 H   -2.732300       4.817300      0.4789000    


%chk=000045844-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045844

0 1
Cl -2.185578 -1.684439 -2.532198
N 0.997097 0.031767 0.072745
N 3.863138 -0.127537 0.513807
C 1.938854 1.043905 -0.531142
C 1.761526 -1.236011 -0.212702
C 2.371959 0.438257 -1.910050
C 2.245254 -1.105247 -1.696633
C 3.140257 1.163653 0.433472
C 2.951730 -1.267932 0.771080
C -0.376972 0.060126 -0.526729
C 5.016522 -0.090810 1.425167
C -1.222692 -1.079332 0.063812
C -1.067427 1.407801 -0.251928
C -2.077708 -1.899471 -0.705583
C -1.193707 -1.327825 1.462867
C -1.967389 1.941855 -1.206819
C -0.856301 2.111563 0.960717
C -2.877901 -2.915563 -0.145027
C -1.979870 -2.336753 2.052999
C -2.652016 3.152245 -0.953480
C -1.535074 3.323331 1.213123
C -2.829014 -3.133245 1.249034
C -2.438955 3.847446 0.258843
H 1.442975 2.023526 -0.622598
H 1.124125 -2.118201 -0.039425
H 3.406930 0.726614 -2.157913
H 1.710662 0.795257 -2.720573
H 1.509201 -1.554948 -2.387771
H 3.212443 -1.613941 -1.843956
H 3.845515 1.935595 0.068672
H 2.753173 1.494614 1.430695
H 2.540514 -1.253616 1.812495
H 3.524501 -2.207037 0.643387
H -0.350945 -0.079267 -1.629960
H 5.703970 0.721099 1.124804
H 5.569191 -1.046393 1.367222
H 4.732380 0.077796 2.495688
H -0.517519 -0.715405 2.068205
H -2.137622 1.403871 -2.147196
H -0.142888 1.708220 1.687845
H -3.522195 -3.522667 -0.787383
H -1.934116 -2.502140 3.134758
H -3.346502 3.552289 -1.701021
H -1.360491 3.859977 2.152925
H -3.447567 -3.918942 1.695686
H -2.967470 4.787016 0.456238


