%chk=000005042.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005042

0 1
 Cl  -6.600500      -1.915500      1.0400000E-02
 O  -0.9679000       4.006900     -0.8423000    
 O   0.5893000      -3.152900      -2.005800    
 O    1.215000       4.441900     -0.4364000    
 O  -0.7633000      0.7590000       1.889600    
 N  -0.7773000       1.427600     -0.3188000    
 N    2.283000      -2.661500     -0.5304000    
 C    1.501000       1.525700      -1.229400    
 C   0.4726000       2.143700     -0.2781000    
 C    1.766700      6.7199998E-02 -0.9925000    
 C    2.836500     -0.3419000     -5.8100000E-02
 C    3.065300      -1.711300      0.1477000    
 C    1.043300     -0.8750000      -1.619300    
 C    3.639000      0.5745000      0.6373000    
 C    1.277400      -2.327200      -1.409400    
 C   0.2941000       3.636000     -0.5179000    
 C    4.063700      -2.156500       1.020300    
 C   -1.329700      0.7636000      0.7971000    
 C    4.637900      0.1321000       1.509800    
 C    4.849800      -1.230800       1.700900    
 C   -2.627200      0.1028000      0.6033000    
 C   -3.477200     -6.3100003E-02   1.687400    
 C   -2.984200     -0.3440000     -0.6610000    
 C   -4.710000     -0.6892000       1.503400    
 C   -4.217100     -0.9699000     -0.8451000    
 C   -5.080100      -1.142400      0.2371000    
 H    2.428300       2.109900      -1.243100    
 H    1.119500       1.644900      -2.255600    
 H   0.8613000       2.077000      0.7459000    
 H   0.2521000     -0.6119000      -2.314300    
 H   -1.305700       1.488600      -1.182700    
 H    3.508600       1.647600      0.5349000    
 H    2.472600      -3.645200     -0.3606000    
 H    4.235400      -3.218400       1.175200    
 H    5.248900      0.8551000       2.042800    
 H    5.626100      -1.570700       2.380000    
 H   -3.206800      0.2878000       2.679400    
 H   -2.329500     -0.2559000      -1.522200    
 H   -1.038600       4.973600     -0.9935000    
 H   -5.372700     -0.8161000       2.355600    
 H   -4.489600      -1.324300      -1.836000    


%chk=000005042-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005042

0 1
Cl -6.914797 -1.712278 0.360772
O -0.747963 4.032932 -1.052143
O 0.902306 -3.398140 -2.109569
O 1.446873 4.345617 -0.349904
O -0.444665 0.221261 1.538429
N -0.822112 1.469609 -0.386024
N 2.400027 -2.661429 -0.476849
C 1.494843 1.455854 -1.413118
C 0.508866 2.069834 -0.346041
C 1.843245 0.014867 -1.097174
C 2.819630 -0.295048 -0.052916
C 3.077938 -1.675290 0.243547
C 1.215458 -1.008330 -1.780396
C 3.530743 0.693849 0.686362
C 1.459816 -2.427066 -1.507391
C 0.480505 3.581458 -0.548042
C 4.013470 -2.036228 1.249661
C -1.221127 0.561065 0.590361
C 4.456436 0.335368 1.679351
C 4.694978 -1.036326 1.962052
C -2.620734 0.022837 0.474692
C -3.191277 -0.559410 1.635340
C -3.373064 0.045558 -0.728492
C -4.497512 -1.086866 1.611721
C -4.680876 -0.483346 -0.770332
C -5.225860 -1.034497 0.405949
H 2.398925 2.090672 -1.442590
H 1.010201 1.518095 -2.403827
H 0.919503 1.869050 0.661896
H 0.487128 -0.803199 -2.570244
H -1.506181 1.879059 -1.023892
H 3.360902 1.755649 0.477909
H 2.573872 -3.648777 -0.263800
H 4.197759 -3.095404 1.465337
H 4.992031 1.110428 2.236253
H 5.414547 -1.318324 2.738161
H -2.587984 -0.594925 2.547827
H -2.941888 0.435179 -1.657716
H -0.715200 5.018145 -1.188277
H -4.940196 -1.531303 2.507390
H -5.258564 -0.478397 -1.698675


