%chk=000158446.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158446

0 1
 Br  0.3662000      0.3065000       1.975900    
 Cl   5.888900      0.2799000       1.916100    
 F   -1.250900      -3.479800     -2.1700000E-02
 F  -0.1125000      -2.714200      -1.701600    
 F   0.6702000      -2.519300      0.3178000    
 O   -1.144700       3.598600     -0.6754000    
 O   0.6528000       2.486200      -1.283300    
 O   -4.979900     -0.8727000       1.215100    
 O   -4.983200       1.318900       1.027700    
 N   0.8192000      3.0600000E-02  -1.137300    
 N  -0.5142000       2.527500     -0.8301000    
 N   -4.420200      0.2052000      0.9023000    
 C  -0.4992000      8.0499999E-02 -0.6247000    
 C   -1.147000      -1.102500     -0.2687000    
 C   -1.150600       1.304700     -0.4751000    
 C    2.019900      9.2600003E-02 -0.3811000    
 C   -2.446100      -1.061000      0.2372000    
 C   -2.449800       1.346200      3.0700000E-02
 C   -3.097600      0.1633000      0.3870000    
 C   0.9947000     -0.3713000      -2.540100    
 C  -0.4749000      -2.429000     -0.4172000    
 C    1.994600      0.2142000       1.004600    
 C    3.231500      2.8300000E-02  -1.062500    
 C    3.192800      0.2721000       1.716300    
 C    4.429600      8.6199999E-02 -0.3508000    
 C    4.410400      0.2082000       1.038700    
 H   -2.939100      -1.990300      0.5113000    
 H   -2.961500       2.298300      0.1498000    
 H   2.2299999E-02 -0.5209000      -3.027700    
 H    1.542500      -1.315300      -2.642300    
 H    1.487400      0.4177000      -3.120700    
 H    3.329700     -5.0000001E-02  -2.139300    
 H    3.182600      0.3673000       2.800000    
 H    5.371700      3.9000001E-02 -0.8912000    


%chk=000158446-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158446

0 1
Br 0.845542 -0.858902 2.286487
Cl 5.765885 1.816373 1.820484
F -2.078762 -3.595825 -0.091150
F -1.353329 -3.105914 -2.174317
F 0.115368 -3.218215 -0.445973
O 0.058292 3.191185 0.263785
O 0.741543 2.196757 -1.673368
O -5.238675 -0.312192 0.859776
O -4.616420 1.863987 1.190645
N 0.927072 -0.570390 -0.994561
N 0.072697 2.208896 -0.569002
N -4.377656 0.649923 0.822133
C -0.400834 -0.291235 -0.619715
C -1.424183 -1.303119 -0.517379
C -0.803358 1.044310 -0.275649
C 2.034987 0.018795 -0.303037
C -2.716502 -0.978902 -0.068577
C -2.069385 1.366014 0.231475
C -3.022525 0.339380 0.321107
C 1.201416 -1.191858 -2.314710
C -1.174404 -2.770244 -0.789985
C 2.158791 0.007729 1.119466
C 3.109142 0.587100 -1.045026
C 3.281673 0.566267 1.764249
C 4.248421 1.124002 -0.420245
C 4.315411 1.117915 0.985148
H -3.485817 -1.748466 0.034982
H -2.322782 2.393092 0.507888
H 0.327542 -1.757263 -2.662766
H 2.060108 -1.877327 -2.238794
H 1.409182 -0.408088 -3.067913
H 3.035670 0.637523 -2.133333
H 3.357155 0.544811 2.853911
H 5.054336 1.559579 -1.016336


