%chk=000002820.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002820

0 1
 Cl   5.254200       2.593700     -0.1408000    
 N   -1.744700       1.210800      0.1561000    
 N   -4.271000       2.506800     -0.1311000    
 N   0.4952000      0.9154000      0.5334000    
 N    1.449400      -1.928100      0.1793000    
 C   -2.550400       1.500500       1.340400    
 C   -1.991000       2.072500     -0.9983000    
 C   -4.030200       1.564100      0.9653000    
 C   -3.486500       2.120400      -1.307600    
 C  -0.7123000      0.3373000      0.1893000    
 C  -0.9183000     -0.9811000     -7.7200003E-02
 C   0.1637000      -2.022800      0.1228000    
 C    1.815300      0.5263000      0.2844000    
 C    2.228900     -0.7833000      4.6200000E-02
 C   -2.229600      -1.488900     -0.5018000    
 C  -0.3362000      -3.434000      0.2701000    
 C    2.781400       1.558600      0.2217000    
 C   -2.542000      -2.789500     -0.4748000    
 C    3.585400      -1.024600     -0.2588000    
 C   -1.600200      -3.763600     -8.3999997E-03
 C    4.117700       1.304800     -8.1400000E-02
 C    4.521200      4.6999999E-03 -0.3289000    
 H   -2.226100       2.455900       1.771700    
 H   -2.409000      0.7336000       2.112200    
 H   -1.454100       1.708600      -1.883200    
 H   -1.614300       3.080300     -0.7831000    
 H   -4.398000      0.5690000      0.6870000    
 H   -4.608100       1.883500       1.839400    
 H   -3.662300       2.852800      -2.103300    
 H   -3.836000       1.153500      -1.687200    
 H   -5.262100       2.500600     -0.3698000    
 H   0.3901000       1.888000      0.8095000    
 H   -2.986800     -0.7943000     -0.8436000    
 H   0.3738000      -4.192600      0.5843000    
 H    2.468700       2.587100      0.4038000    
 H   -3.521700      -3.132800     -0.7882000    
 H    3.924800      -2.044900     -0.4328000    
 H   -1.936900      -4.790000      8.8799998E-02
 H    5.555600     -0.2289000     -0.5647000    


%chk=000002820-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002820

0 1
Cl 5.039428 2.483626 -1.627296
N -1.848928 1.134226 0.259931
N -4.251109 2.632339 -0.092990
N 0.477910 0.961179 0.415305
N 1.516013 -1.857594 0.759093
C -3.082539 0.783867 1.017129
C -1.787891 2.570504 -0.116152
C -4.342187 1.192860 0.232061
C -3.061214 2.949140 -0.906236
C -0.722954 0.306373 0.213108
C -0.830446 -1.104130 0.041303
C 0.193896 -2.038198 0.579970
C 1.787228 0.538989 -0.033673
C 2.252047 -0.788628 0.219596
C -2.053756 -1.654904 -0.503393
C -0.304576 -3.367364 0.914226
C 2.623230 1.521662 -0.603832
C -2.399148 -2.987213 -0.323321
C 3.614592 -1.062103 -0.104378
C -1.533373 -3.830376 0.466589
C 3.958290 1.194037 -0.914627
C 4.471013 -0.091584 -0.664867
H -3.070881 1.347852 1.973696
H -3.083984 -0.293049 1.236338
H -0.897257 2.744367 -0.743087
H -1.733228 3.213675 0.788530
H -4.426016 0.545385 -0.675071
H -5.232306 1.018675 0.862440
H -3.041715 4.033632 -1.117277
H -3.037919 2.402767 -1.881019
H -5.120676 3.019209 -0.477476
H 0.445375 1.842492 0.933552
H -2.706973 -0.986246 -1.078209
H 0.395804 -4.019805 1.445406
H 2.242441 2.531697 -0.789223
H -3.313668 -3.395175 -0.765666
H 3.981641 -2.068682 0.116120
H -1.832471 -4.864273 0.676722
H 5.513905 -0.329830 -0.892623


