%chk=000046302.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046302

0 1
 Cl  -1.418400       2.056100       2.564600    
 N    3.607800      0.2164000      0.7888000    
 N   0.8526000     -0.1000000      2.2299999E-02
 C    3.136600      -1.089700      0.2943000    
 C    3.016800       1.141100     -0.1952000    
 C    3.345000      -1.024900      -1.225100    
 C    3.264900      0.4694000      -1.552900    
 C    1.635400      -1.170400      0.6618000    
 C    1.507100       1.213700      0.1383000    
 C  -0.5189000     -6.5300003E-02  0.5166000    
 C    5.062500      0.3112000      0.8643000    
 C   -1.290500       1.140300      3.9999999E-04
 C   -1.262200      -1.367200      0.2568000    
 C   -1.721300       2.125500      0.8669000    
 C   -1.536700       1.202900      -1.358400    
 C   -2.255400      -1.755000       1.133400    
 C  -0.9216000      -2.121500     -0.8477000    
 C   -2.425500       3.216000      0.3562000    
 C   -2.241200       2.293300      -1.868900    
 C   -2.937000      -2.948400      0.8952000    
 C   -1.603400      -3.314900      -1.085700    
 C   -2.685500       3.299700      -1.011700    
 C   -2.611100      -3.728200     -0.2143000    
 H    3.665800      -1.933600      0.7508000    
 H    3.446100       2.148100     -0.1456000    
 H    2.600200      -1.604700      -1.780100    
 H    4.334900      -1.408500      -1.498700    
 H    4.216000      0.8026000      -1.984200    
 H    2.476700      0.6845000      -2.282100    
 H    1.294900      -2.167600      0.3689000    
 H    1.545000      -1.114400       1.756100    
 H    1.396200       1.619900       1.153000    
 H    1.070100       1.934300     -0.5618000    
 H  -0.4327000     -1.5000000E-02   1.607100    
 H    5.572600      0.1298000     -8.6999997E-02
 H    5.446700     -0.4084000       1.595600    
 H    5.354500       1.305600       1.219400    
 H   -1.189600      0.4423000      -2.050000    
 H   -2.517400      -1.154700       1.999300    
 H  -0.1632000      -1.818500      -1.562800    
 H   -2.778400       4.008900       1.010800    
 H   -2.440500       2.360700      -2.934500    
 H   -3.722000      -3.270100       1.573300    
 H   -1.354300      -3.919200      -1.953100    
 H   -3.233000       4.149100      -1.409500    
 H   -3.143100      -4.656500     -0.4007000    


%chk=000046302-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046302

0 1
Cl -2.749856 1.623528 2.291349
N 3.765283 0.009027 0.803648
N 0.914175 0.004304 0.151481
C 3.107935 -1.170371 0.150859
C 3.140651 1.123665 0.019166
C 3.188801 -0.892144 -1.393706
C 3.222356 0.669501 -1.482672
C 1.641142 -1.205529 0.635207
C 1.673777 1.244391 0.489835
C -0.499310 0.072277 0.635271
C 5.244527 -0.016094 0.752995
C -1.263716 1.199896 -0.078862
C -1.242078 -1.259126 0.424505
C -2.305414 1.931850 0.534369
C -0.984386 1.511264 -1.436592
C -1.823188 -1.929288 1.527196
C -1.372239 -1.827793 -0.868421
C -3.050116 2.919608 -0.140434
C -1.710012 2.494307 -2.138443
C -2.521316 -3.145853 1.346265
C -2.061858 -3.044858 -1.051709
C -2.750455 3.200664 -1.491403
C -2.642436 -3.708494 0.055952
H 3.611499 -2.105165 0.453267
H 3.665299 2.074647 0.217686
H 2.313054 -1.311171 -1.917125
H 4.099524 -1.343455 -1.827408
H 4.157207 1.030327 -1.948777
H 2.374605 1.065941 -2.066988
H 1.135286 -2.104795 0.244929
H 1.649311 -1.265977 1.750090
H 1.679374 1.431555 1.590722
H 1.188188 2.105840 -0.001919
H -0.519599 0.288275 1.731267
H 5.679538 -0.089659 -0.272726
H 5.610114 -0.877957 1.339699
H 5.637089 0.902853 1.224289
H -0.160954 0.965737 -1.911527
H -1.732815 -1.495187 2.529644
H -0.923672 -1.317712 -1.727673
H -3.846744 3.456578 0.382700
H -1.466456 2.710269 -3.184323
H -2.968149 -3.651362 2.209825
H -2.151687 -3.474962 -2.055900
H -3.323770 3.966401 -2.024725
H -3.183009 -4.651055 -0.086683


