%chk=000050502.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050502

0 1
 Cl   1.888200      -1.183300       1.750900    
 O    3.801800      0.9774000     -0.8697000    
 O  -0.7354000       3.772100      0.3252000    
 N   -1.316000      0.4692000      0.9639000    
 N   -3.959700     -0.3157000      0.2197000    
 C   -2.070300       1.245400     -2.7700000E-02
 C   -2.234000     -8.8600002E-02   1.964700    
 C   -3.096800      0.3678000     -0.7485000    
 C   -3.264800      -1.011400       1.310100    
 C  -0.3029000       1.305200       1.606900    
 C   0.6831000       1.857100      0.6119000    
 C   -5.204400     -0.8090000     -0.1871000    
 C    1.861800       1.180600      0.2697000    
 C   0.4045000       3.089000      1.3200000E-02
 C    2.712900       1.769400     -0.6597000    
 C    2.481000     -4.2399999E-02  0.6396000    
 C   -5.416400      -1.241500      -1.511500    
 C   -6.284000     -0.8877000      0.7155000    
 C    1.285400       3.646900     -0.9168000    
 C    2.468400       2.994700      -1.277000    
 C    3.651900     -0.1170000     -7.8699999E-02
 C   -6.657500      -1.732600      -1.916900    
 C   -7.525000      -1.378900      0.3100000    
 C    4.718000      -1.076700     -0.1662000    
 C   -7.711600      -1.801300      -1.006200    
 C    5.044400      -1.866400      0.9398000    
 C    5.435000      -1.225500      -1.356800    
 C    6.079700      -2.797500      0.8560000    
 C    6.470200      -2.156700      -1.440400    
 C    6.792500      -2.942700     -0.3340000    
 H   -1.434700       1.618900     -0.8338000    
 H   -2.594200       2.087200      0.4427000    
 H   -2.752300      0.7139000       2.506700    
 H   -1.673000     -0.6731000       2.704000    
 H   -3.691100       1.010500      -1.410100    
 H   -2.578100     -0.3727000      -1.371300    
 H   -2.770400      -1.905900      0.9096000    
 H   -3.962500      -1.347600       2.085600    
 H   0.2257000      0.7495000       2.385800    
 H  -0.7743000       2.130800       2.159400    
 H   -4.615300      -1.215000      -2.246000    
 H   -6.165900     -0.5521000       1.743500    
 H    1.060600       4.606000      -1.378400    
 H    3.156600       3.420800      -1.997400    
 H   -6.802600      -2.064200      -2.940900    
 H   -8.346800      -1.429800       1.018200    
 H   -8.677900      -2.183700      -1.321900    
 H  -0.7633000       4.597800     -0.1878000    
 H    4.545500      -1.758800       1.897100    
 H    5.201000     -0.6325000      -2.237800    
 H    6.337400      -3.403100       1.720100    
 H    7.024500      -2.271000      -2.367400    
 H    7.599700      -3.666400     -0.3987000    


%chk=000050502-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050502

0 1
Cl 1.490751 -0.870010 1.853044
O 3.721888 0.976715 -0.950833
O -0.418392 4.471384 0.322660
N -1.314856 0.915977 0.993627
N -3.809229 -0.365185 0.267584
C -2.150028 1.446925 -0.107744
C -2.178558 0.305559 2.029856
C -2.990705 0.327244 -0.747509
C -3.006052 -0.836930 1.420549
C -0.391197 1.933205 1.574117
C 0.689042 2.348877 0.591598
C -4.962890 -1.084634 -0.132630
C 1.777766 1.503839 0.226381
C 0.654173 3.622324 -0.031440
C 2.734259 1.954990 -0.730005
C 2.243826 0.180482 0.602573
C -5.325921 -1.218147 -1.508793
C -5.834798 -1.672400 0.836969
C 1.628143 4.052561 -0.979285
C 2.693570 3.208222 -1.348542
C 3.403755 -0.130967 -0.107804
C -6.507979 -1.890491 -1.886489
C -7.006050 -2.349224 0.446303
C 4.335359 -1.256901 -0.187195
C -7.361325 -2.465328 -0.919021
C 4.096241 -2.495392 0.475601
C 5.525868 -1.115649 -0.961000
C 5.024145 -3.551524 0.368508
C 6.446714 -2.175889 -1.062336
C 6.203636 -3.400824 -0.396884
H -1.490707 1.883127 -0.879036
H -2.834120 2.255701 0.254290
H -2.870892 1.057838 2.488773
H -1.534790 -0.105800 2.829731
H -3.657100 0.789062 -1.496362
H -2.312158 -0.384283 -1.273133
H -2.308265 -1.641687 1.094234
H -3.666268 -1.255341 2.195523
H 0.077806 1.470239 2.461554
H -0.940934 2.840256 1.913149
H -4.676898 -0.820535 -2.294072
H -5.615690 -1.575770 1.905018
H 1.546824 5.050080 -1.428956
H 3.450439 3.513931 -2.074972
H -6.752864 -1.975604 -2.952066
H -7.653922 -2.780033 1.219058
H -8.274658 -2.990326 -1.217415
H -0.351515 5.334666 -0.154398
H 3.188230 -2.635121 1.066313
H 5.715781 -0.170040 -1.476111
H 4.822812 -4.497153 0.883755
H 7.355660 -2.047341 -1.660242
H 6.920675 -4.225275 -0.475393


