%chk=000158666.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158666

0 1
 Br   3.232000       1.746600       1.983700    
 Cl  0.4168000      -1.836400      -1.297500    
 F   -1.230000       3.499600     -0.5463000    
 F  -5.0900001E-02   2.935200       1.184300    
 F   0.6380000       2.418900     -0.8126000    
 F    5.295200     -0.7754000      -2.066500    
 O   -1.355900      -3.411100       1.132200    
 O   0.5022000      -2.303100       1.504200    
 O   -5.106800      0.9011000      -1.255800    
 O   -5.184200      -1.233700     -0.7505000    
 N   0.7536000      0.1012000      0.9925000    
 N  -0.6838000      -2.354000       1.103000    
 N   -4.570400     -0.1410000     -0.8080000    
 C  -0.5863000      3.4499999E-02  0.5408000    
 C   -1.204000       1.180200      3.9299998E-02
 C   -1.288700      -1.169500      0.5956000    
 C    1.918200     -0.1211000      0.2102000    
 C   -2.524000       1.122000     -0.4074000    
 C   -2.608900      -1.227700      0.1489000    
 C   -3.226500     -8.1900001E-02 -0.3526000    
 C   0.9173000      0.1591000       2.451600    
 C  -0.4776000       2.484300     -3.0999999E-02
 C    3.104400      0.5375000      0.5247000    
 C    1.866800     -0.9991000     -0.8698000    
 C    4.246300      0.3164000     -0.2454000    
 C    3.008800      -1.220100      -1.639800    
 C    4.198400     -0.5623000      -1.327700    
 H   -2.993700       2.022100     -0.7960000    
 H   -3.160300      -2.164200      0.1893000    
 H    1.800600     -0.3709000       2.827200    
 H   7.8800000E-02 -0.3413000       2.958400    
 H   0.8339000       1.183600       2.828500    
 H    5.182800      0.8192000     -1.8400000E-02
 H    2.988900      -1.901500      -2.486400    


%chk=000158666-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158666

0 1
Br 2.615210 2.048345 2.292981
Cl 1.111508 -1.995912 -1.544545
F -0.894913 2.902879 -1.657684
F 0.644644 2.589368 -0.049591
F 0.751809 1.413541 -1.994579
F 5.568504 0.570653 -1.809271
O -2.126634 -2.788417 2.581165
O -0.330029 -3.121938 1.216202
O -5.087923 1.267889 -1.254183
O -5.629944 -0.477758 0.120243
N 0.744094 -0.300344 1.028485
N -1.314947 -2.410038 1.650209
N -4.777885 0.314251 -0.440038
C -0.557598 -0.210479 0.518270
C -1.023538 0.833735 -0.386890
C -1.595583 -1.111549 0.979351
C 1.935599 -0.007374 0.267652
C -2.387458 0.965247 -0.699591
C -2.962448 -0.926759 0.720038
C -3.349959 0.117256 -0.125436
C 1.022402 -0.961228 2.334877
C -0.143210 1.902143 -1.003527
C 2.910836 0.934024 0.716133
C 2.261491 -0.757571 -0.901445
C 4.125190 1.134128 0.034179
C 3.458136 -0.573484 -1.614451
C 4.366309 0.374079 -1.121428
H -2.728810 1.761644 -1.364461
H -3.702777 -1.617350 1.131826
H 1.274574 -2.027235 2.201039
H 0.149128 -0.867721 3.000568
H 1.864487 -0.443550 2.815781
H 4.859845 1.865956 0.375951
H 3.680890 -1.149228 -2.515128


