%chk=000046638.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046638

0 1
 Cl  -2.402400       2.574800     -0.4545000    
 Cl  -6.421300     -0.9384000      -1.175400    
 O    2.273200     -0.4693000      0.2620000    
 O   -1.125700      0.3019000       1.042200    
 O    1.289200       1.475100       1.023200    
 N    5.918500     -0.2261000     -0.2258000    
 C    4.590600     -0.8383000     -0.2015000    
 C    3.547100      0.1616000      0.2704000    
 C    5.925100      0.9458000      -1.100700    
 C    6.920900      -1.196600     -0.6638000    
 C  -4.9500000E-02 -0.5013000      0.6004000    
 C    1.219300      0.3073000      0.6649000    
 C   -2.365200      3.2900002E-02  0.5139000    
 C   -3.060900       1.000700     -0.2002000    
 C   -2.907100      -1.231300      0.7120000    
 C   -4.317900      0.6998000     -0.7245000    
 C   -4.164100      -1.532100      0.1877000    
 C   -4.869600     -0.5666000     -0.5304000    
 H    4.582300      -1.697700      0.4814000    
 H    4.305600      -1.231400      -1.187000    
 H    3.476200       1.026000     -0.3967000    
 H    3.778200      0.5051000       1.286200    
 H    5.399500       1.794200     -0.6519000    
 H    5.501400      0.7355000      -2.089600    
 H    6.951500       1.302800      -1.251100    
 H    7.924600     -0.7584000     -0.6265000    
 H    6.736300      -1.550600      -1.684700    
 H    6.934900      -2.064500      4.9999999E-03
 H   5.0799999E-02  -1.366200       1.264100    
 H  -0.1945000     -0.8237000     -0.4378000    
 H   -2.373000      -1.989900       1.277000    
 H   -4.869400       1.452000      -1.284600    
 H   -4.582600      -2.522400      0.3486000    


%chk=000046638-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046638

0 1
Cl -3.239027 2.835726 0.189211
Cl -6.869061 -1.354740 -0.102970
O 2.277686 -0.280311 0.073052
O -1.200066 0.700110 0.157880
O 1.318184 1.800541 0.549283
N 6.016961 -0.274643 -0.204577
C 4.619193 -0.741533 -0.342294
C 3.646354 0.307900 0.208838
C 6.396416 0.745130 -1.205593
C 6.989189 -1.385834 -0.155432
C -0.077047 -0.227229 0.167381
C 1.207261 0.591109 0.288449
C -2.480307 0.145441 0.094648
C -3.568408 1.060260 0.101773
C -2.762814 -1.242345 0.023833
C -4.899885 0.615241 0.042596
C -4.096419 -1.705724 -0.036260
C -5.145265 -0.771485 -0.025685
H 4.498816 -1.668686 0.246708
H 4.344733 -0.984515 -1.399168
H 3.671394 1.262016 -0.345216
H 3.845108 0.510980 1.275081
H 5.720043 1.615113 -1.151887
H 6.377922 0.355369 -2.255127
H 7.417974 1.105808 -0.992143
H 7.997596 -0.982905 0.047202
H 7.041291 -1.977268 -1.104493
H 6.728171 -2.075920 0.666116
H -0.136736 -0.920949 1.031334
H -0.037630 -0.828680 -0.762047
H -1.951651 -1.975398 0.012560
H -5.721739 1.335323 0.050245
H -4.306240 -2.777204 -0.090998


