%chk=000172392.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172392

0 1
 Br  -2.773300      -2.868600      0.4063000    
 F    1.069300      0.2670000       1.836700    
 O    1.523300     -0.2581000      -1.086500    
 O    3.719600       1.691700     -3.1099999E-02
 O    2.506000      -2.850800     -0.7897000    
 O   -1.174900       2.728600     -0.5468000    
 N  -0.5285000      0.5307000     -0.2790000    
 N   -2.836800       1.227000     -0.1905000    
 N   -4.556700     -0.2754000      0.1707000    
 C    2.990200      0.6254000      0.5683000    
 C    1.583500       1.077400      0.8729000    
 C   0.8616000      0.8372000     -0.4392000    
 C    2.784900     -0.5046000     -0.4353000    
 C    2.707400      -1.877300      0.2198000    
 C  -0.9396000     -0.7762000     -5.3300001E-02
 C   -1.503700       1.557600     -0.3486000    
 C   -2.218400      -1.122800      0.1036000    
 C   -3.213700     -8.8000000E-03  2.1800000E-02
 H    3.534700      0.3066000       1.462400    
 H    1.496600       2.112200       1.215900    
 H   0.9847000       1.706500      -1.096100    
 H    3.550600     -0.5088000      -1.219200    
 H    1.879000      -1.948800      0.9297000    
 H    3.641400      -2.107500      0.7422000    
 H    4.601300       1.349400     -0.2574000    
 H  -0.1657000      -1.530800      1.2000001E-03
 H    2.467200      -3.716900     -0.3493000    
 H   -4.899900      -1.215500      0.3372000    
 H   -5.244900      0.4678000      0.1184000    


%chk=000172392-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000172392

0 1
Br -2.671619 -3.095248 -0.460399
F 1.071210 0.658665 1.864684
O 1.679198 -0.119304 -1.262449
O 3.847407 1.703361 -0.208537
O 1.950733 -2.829099 -0.468207
O -0.984747 2.688875 0.177384
N -0.471861 0.473919 -0.349924
N -2.724210 1.096933 0.269181
N -4.410797 -0.500622 0.379583
C 3.086996 0.672897 0.501265
C 1.691910 1.299557 0.708351
C 0.920136 0.936346 -0.599084
C 2.784275 -0.567128 -0.374483
C 2.398638 -1.792248 0.471005
C -0.836647 -0.843926 -0.493937
C -1.420162 1.507094 0.055833
C -2.143625 -1.216333 -0.248318
C -3.096948 -0.195766 0.138843
H 3.561997 0.411802 1.467368
H 1.717799 2.380055 0.901665
H 0.866177 1.818274 -1.257636
H 3.609702 -0.838297 -1.056825
H 1.602109 -1.531542 1.195367
H 3.297759 -2.123004 1.034944
H 4.641577 1.303578 -0.643548
H -0.057924 -1.540484 -0.825920
H 1.728973 -3.653828 0.032555
H -4.760372 -1.452406 0.293507
H -5.032485 0.262078 0.642833


