%chk=000063254.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063254

0 1
 Cl -0.6080000      -2.343100      -2.438100    
 S    1.832000       1.454200      0.8422000    
 O   -2.641300      -1.860300      0.8543000    
 N  -0.8174000     -0.5985000      6.0199998E-02
 N   -1.181500       1.659900     -0.5937000    
 N    4.429000       2.101400       1.154400    
 N    3.828800       1.431700     -0.9387000    
 C  -0.3928000      0.6457000     -0.4122000    
 C   -3.057800      0.3535000      0.2701000    
 C    1.075700      0.8947000     -0.6898000    
 C   -2.158800     -0.8066000      0.4456000    
 C   -2.534700       1.530300     -0.2658000    
 C   6.6200003E-02  -1.729500      0.1350000    
 C    5.684500       2.200200      0.4726000    
 C    5.291900       1.749800     -0.9449000    
 C    3.470500       1.670800      0.2944000    
 C   -4.412700      0.2640000      0.6110000    
 C   -3.386400       2.624400     -0.4580000    
 C   0.2320000      -2.585500     -0.9480000    
 C   0.7560000      -1.948600       1.322800    
 C   -5.250000       1.361300      0.4150000    
 C   -4.738000       2.540800     -0.1202000    
 C    1.097900      -3.674000     -0.8424000    
 C    1.621900      -3.036900       1.428400    
 C    1.792800      -3.899700      0.3457000    
 H    1.162000       1.675400      -1.453700    
 H    1.569400     -4.8000002E-03  -1.062800    
 H    6.432900       1.534300      0.9117000    
 H    6.063500       3.226300      0.4766000    
 H    5.488500       2.541500      -1.675600    
 H    5.856000      0.8596000      -1.242900    
 H    4.296400       2.323000       2.133100    
 H   -4.832800     -0.6479000       1.025900    
 H   -2.999200       3.553200     -0.8703000    
 H   0.6240000      -1.289900       2.177000    
 H   -6.301600       1.295800      0.6781000    
 H   -5.389500       3.396100     -0.2731000    
 H    1.242500      -4.355800      -1.676600    
 H    2.161500      -3.213800       2.354200    
 H    2.466800      -4.747300      0.4283000    


%chk=000063254-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063254

0 1
Cl -0.131398 -1.611338 -2.640037
S 1.750432 2.301636 0.587021
O -2.090941 -1.810127 0.890755
N -0.726009 -0.117081 -0.011127
N -1.603153 2.033478 -0.657764
N 4.349307 1.558441 1.193612
N 3.570246 0.706450 -0.802658
C -0.588207 1.190718 -0.529697
C -3.118900 0.310022 0.285717
C 0.773696 1.680443 -0.938725
C -1.999695 -0.637953 0.431637
C -2.884122 1.610990 -0.262052
C 0.393531 -1.037655 0.051482
C 5.568736 0.918431 0.637765
C 4.967441 0.176591 -0.617586
C 3.324426 1.444636 0.253094
C -4.427017 -0.074576 0.677913
C -3.975183 2.511889 -0.407533
C 0.762153 -1.815771 -1.068414
C 1.089842 -1.215717 1.266323
C -5.495694 0.824999 0.529416
C -5.265821 2.120805 -0.014993
C 1.808686 -2.753036 -0.998721
C 2.139562 -2.152974 1.354974
C 2.497393 -2.921128 0.223262
H 0.646072 2.542586 -1.605077
H 1.438156 0.923545 -1.390574
H 6.026133 0.221566 1.361869
H 6.324426 1.676699 0.349648
H 5.560143 0.354528 -1.530703
H 4.909970 -0.915208 -0.450528
H 4.362710 2.234823 1.954694
H -4.570113 -1.078845 1.089787
H -3.773091 3.501789 -0.827355
H 0.789552 -0.620001 2.133183
H -6.506780 0.531578 0.830701
H -6.103324 2.817944 -0.128385
H 2.073927 -3.340728 -1.882063
H 2.668514 -2.287885 2.303760
H 3.304594 -3.658863 0.287183


