%chk=000053092.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053092

0 1
 Cl  -2.035400       2.152500       4.564600    
 N    2.226400     -0.4708000     -0.2002000    
 N   0.8675000     -0.1437000      4.4900000E-02
 N    3.264600       2.686000      -1.919200    
 N    1.982800      -4.173300      0.2808000    
 C    2.857000      0.3739000      -1.227300    
 C    2.442700      -1.896900     -0.4925000    
 C   0.3728000      0.4045000       1.206800    
 C   -1.002800      0.5687000       1.030500    
 C   -1.315100      0.1002000     -0.2764000    
 C  -0.1449000     -0.3312000     -0.8574000    
 C    2.624500       1.848300     -0.9109000    
 C    1.783800      -2.759400      0.5798000    
 C    1.031000      0.7640000       2.388300    
 C   -2.576900      4.4300001E-02 -0.9576000    
 C   -1.760700       1.118300       2.083500    
 C   0.2587000       1.307000       3.419100    
 C   -1.115800       1.482400       3.271100    
 C    4.710400       2.458300      -1.935200    
 C    2.975500       4.099600      -1.673000    
 C    1.429000      -5.008200       1.347800    
 C    1.371700      -4.518600      -1.003600    
 C   -3.380300      -1.091300     -0.8474000    
 C   -3.001600       1.125400      -1.730900    
 C   -4.606500      -1.145800      -1.509800    
 C   -4.228000       1.070700      -2.393200    
 C   -5.030500     -6.4900003E-02  -2.282500    
 H    2.468900      0.1375000      -2.227000    
 H    3.924300      0.1320000      -1.216600    
 H    3.520100      -2.105500     -0.5122000    
 H    2.048800      -2.107800      -1.491800    
 H   4.4100001E-02 -0.7509000      -1.837600    
 H    2.997400       2.088200      9.4300002E-02
 H    1.553200       2.078100     -0.9278000    
 H   0.7096000      -2.563900      0.6765000    
 H    2.243200      -2.523100       1.549000    
 H    2.100700      0.6295000       2.509300    
 H   -2.832900       1.255200       1.969600    
 H   0.7536000       1.591800       4.345200    
 H    4.968500       1.492900      -2.380600    
 H    5.158400       2.530000     -0.9374000    
 H    5.205500       3.200700      -2.573500    
 H    3.411400       4.725300      -2.459900    
 H    3.364800       4.438900     -0.7061000    
 H    1.895200       4.282300      -1.693700    
 H   0.3460000      -4.877600       1.455900    
 H    1.902700      -4.771900       2.307300    
 H    1.631500      -6.067300       1.153200    
 H    1.947700      -4.131800      -1.849400    
 H   0.3338000      -4.174400      -1.082300    
 H    1.369700      -5.606700      -1.144000    
 H   -3.065000      -1.942800     -0.2488000    
 H   -2.388500       2.018500      -1.827400    
 H   -5.231500      -2.029900      -1.423700    
 H   -4.558400       1.912400      -2.994900    
 H   -5.985400     -0.1073000      -2.798100    


%chk=000053092-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053092

0 1
Cl -2.228516 1.710831 4.699491
N 2.172506 -0.482741 -0.299618
N 0.792787 -0.168030 -0.099825
N 3.398696 2.852698 -1.704894
N 2.154701 -4.277603 0.154081
C 2.822224 0.461506 -1.259977
C 2.372039 -1.924673 -0.642482
C 0.264283 0.237982 1.132660
C -1.149347 0.438545 0.946765
C -1.456796 0.134043 -0.448278
C -0.242059 -0.224440 -1.047393
C 2.804083 1.909183 -0.730993
C 1.950465 -2.852780 0.513646
C 0.915941 0.453677 2.364011
C -2.766794 0.181398 -1.128201
C -1.921442 0.902933 2.047517
C 0.133591 0.893631 3.449292
C -1.258104 1.113659 3.263710
C 4.870625 2.754001 -1.789881
C 2.959183 4.245839 -1.476958
C 2.389729 -5.132704 1.336977
C 1.073738 -4.817984 -0.698415
C -3.969145 -0.149409 -0.440735
C -2.861765 0.545662 -2.501936
C -5.215821 -0.116105 -1.101238
C -4.106574 0.569736 -3.164565
C -5.293407 0.243126 -2.466755
H 2.346690 0.445516 -2.266884
H 3.861256 0.104928 -1.374999
H 3.451053 -2.066167 -0.825326
H 1.838297 -2.202290 -1.580572
H -0.052841 -0.550040 -2.068572
H 3.315146 1.939464 0.264724
H 1.753513 2.209790 -0.564867
H 0.892666 -2.643976 0.808001
H 2.581441 -2.615115 1.389274
H 1.991723 0.286654 2.464368
H -2.989547 1.112172 1.952658
H 0.586857 1.074341 4.427962
H 5.176988 1.735238 -2.083806
H 5.382083 3.005281 -0.825254
H 5.241303 3.448525 -2.564527
H 3.350648 4.893468 -2.282079
H 3.303191 4.667442 -0.498638
H 1.856658 4.298114 -1.503116
H 1.514368 -5.182827 2.032928
H 3.258548 -4.755425 1.904608
H 2.619301 -6.162154 1.007262
H 0.961468 -4.210733 -1.613082
H 0.081766 -4.844842 -0.179836
H 1.327850 -5.847204 -1.008744
H -3.922239 -0.473772 0.604259
H -1.953426 0.836900 -3.042908
H -6.126630 -0.379642 -0.551547
H -4.153904 0.857164 -4.221221
H -6.261749 0.269609 -2.978475


