%chk=000046667.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046667

0 1
 Cl   6.241700      -3.167600     -9.9600002E-02
 O   0.1875000       4.727900     -0.9637000    
 N   -1.501100      0.6117000      0.8362000    
 N   -4.881300      -2.869200      -1.070400    
 N    1.008400     -0.5377000      0.5071000    
 C   -2.799300       1.174100       1.015900    
 C   -3.848700      6.0699999E-02   1.136800    
 C   -3.859700     -0.8723000     -8.0399998E-02
 C   -4.869900      -2.004300      0.1036000    
 C   -2.782900       2.046000       2.267100    
 C  -0.4170000       1.348000      0.2949000    
 C   0.8295000      0.7466000      0.1423000    
 C    1.873300       1.517400     -0.3970000    
 C  -0.6397000       2.677400     -7.2300002E-02
 C   0.3971000       3.433000     -0.6048000    
 C    1.652700       2.855300     -0.7676000    
 C    3.122900      0.9077000     -0.5478000    
 C    3.314200     -0.4254000     -0.1708000    
 C    2.213900      -1.120200      0.3596000    
 C   -5.870900      -3.936600     -0.9144000    
 C   -3.553100      -3.438500      -1.304100    
 C    4.559000      -1.063300     -0.3113000    
 C    2.398100      -2.447700      0.7369000    
 C    4.716700      -2.391300      7.3399998E-02
 C    3.633800      -3.084600      0.5986000    
 C   -1.125300       5.252800     -0.7680000    
 H   -3.112300       1.767300      0.1484000    
 H   -4.843000      0.5072000       1.263600    
 H   -3.651200     -0.5344000       2.038500    
 H   -4.096500     -0.2946000     -0.9826000    
 H   -2.849900      -1.273900     -0.2007000    
 H   -4.633400      -2.571700       1.013500    
 H   -5.865200      -1.564500      0.2450000    
 H   -1.287800     -0.3050000       1.214600    
 H   -3.771300       2.487500       2.436300    
 H   -2.064500       2.868700       2.220000    
 H   -2.530600       1.453400       3.154700    
 H   -1.618700       3.115000      4.5100000E-02
 H    2.463200       3.449800      -1.184900    
 H    3.954300       1.476200     -0.9627000    
 H   -6.871400      -3.515100     -0.7655000    
 H   -5.642300      -4.591600     -6.5800004E-02
 H   -5.923000      -4.550100      -1.820800    
 H   -3.603200      -4.218000      -2.074700    
 H   -3.125400      -3.893400     -0.4031000    
 H   -2.855000      -2.697600      -1.705600    
 H    5.404500     -0.5151000     -0.7235000    
 H    1.564500      -3.012200       1.151000    
 H    3.731500      -4.122600      0.9065000    
 H   -1.864500       4.732300      -1.386400    
 H   -1.108000       6.294700      -1.104700    
 H   -1.400800       5.267200      0.2922000    


%chk=000046667-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046667

0 1
Cl 6.317995 -3.254552 0.188468
O 0.267488 4.787470 -1.256720
N -1.406846 0.668716 0.925773
N -5.066939 -2.867824 -1.102653
N 1.026220 -0.422866 0.655820
C -2.786452 1.072654 1.234993
C -3.678948 -0.188332 1.341069
C -3.866018 -0.934915 0.001662
C -4.672692 -2.237790 0.180015
C -2.855292 1.928900 2.526488
C -0.446226 1.454727 0.330953
C 0.876564 0.842690 0.177258
C 1.944461 1.600712 -0.465766
C -0.652577 2.767588 -0.134188
C 0.418446 3.479930 -0.766633
C 1.692167 2.923647 -0.934976
C 3.201086 0.948041 -0.585139
C 3.382293 -0.367776 -0.096109
C 2.246510 -1.035927 0.533456
C -6.064055 -3.939455 -0.900921
C -3.916042 -3.342371 -1.898711
C 4.636577 -1.069446 -0.194684
C 2.410450 -2.370229 1.038062
C 4.732318 -2.356478 0.309972
C 3.632140 -3.030684 0.932951
C -1.037246 5.438520 -1.125408
H -3.159589 1.682976 0.384714
H -4.667336 0.119111 1.735712
H -3.240547 -0.871276 2.101035
H -4.405323 -0.288461 -0.718012
H -2.872623 -1.147998 -0.436396
H -4.085625 -2.946949 0.826263
H -5.605687 -2.004597 0.731353
H -1.058816 -0.250667 1.227203
H -3.877907 2.319179 2.683728
H -2.159815 2.785196 2.472586
H -2.576722 1.321330 3.406939
H -1.629804 3.240129 -0.013527
H 2.475759 3.511199 -1.420831
H 4.038001 1.472489 -1.061539
H -6.945725 -3.533176 -0.373311
H -5.674209 -4.806047 -0.306528
H -6.399762 -4.324382 -1.880633
H -4.281540 -3.785076 -2.842434
H -3.304234 -4.116755 -1.366960
H -3.252405 -2.501147 -2.158928
H 5.497023 -0.582657 -0.664492
H 1.546163 -2.850390 1.506937
H 3.763964 -4.046763 1.315084
H -1.824969 4.883490 -1.670857
H -0.904954 6.431444 -1.580154
H -1.328802 5.554246 -0.063386


