%chk=000044465.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044465

0 1
 Br  0.2975000       1.940200       1.301300    
 Br   3.177200      -1.799500      -2.015500    
 Br   5.776100      0.8606000       2.257000    
 F   -1.249400      -3.490700      0.6080000    
 F  -9.1899998E-02  -2.960300      -1.147800    
 F   0.6266000      -2.413900      0.8305000    
 O   -1.369000       3.393200      -1.177800    
 O   0.4791000       2.271200      -1.558500    
 O   -5.105400     -0.8645000       1.327100    
 O   -5.180400       1.262600      0.7897000    
 N   0.7270000     -0.1263000      -1.013000    
 N  -0.7011000       2.333500      -1.141700    
 N   -4.570500      0.1681000      0.8559000    
 C  -0.6062000     -4.6500001E-02 -0.5443000    
 C   -1.221900      -1.181400     -1.6600000E-02
 C   -1.304100       1.159600     -0.6084000    
 C    1.903000      0.1030000     -0.2501000    
 C   -2.535400      -1.110200      0.4473000    
 C   -2.617500       1.230700     -0.1446000    
 C   -3.233300      9.5899999E-02  0.3833000    
 C   0.8707000     -0.2081000      -2.473100    
 C  -0.4999000      -2.487400      6.5499999E-02
 C    1.873500      0.9975000      0.8168000    
 C    3.080500     -0.5665000     -0.5740000    
 C    3.028900       1.223900       1.564900    
 C    4.235800     -0.3400000      0.1741000    
 C    4.210100      0.5552000       1.243700    
 H   -3.003500      -2.001900      0.8566000    
 H   -3.165900       2.168600     -0.1927000    
 H    1.751200      0.3115000      -2.869400    
 H   2.8400000E-02  0.2903000      -2.975700    
 H   0.7739000      -1.237300      -2.833600    
 H    3.011800       1.921800       2.399400    
 H    5.158300     -0.8606000     -7.3899999E-02


%chk=000044465-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044465

0 1
Br 1.185850 2.212440 1.546382
Br 2.443997 -2.081067 -2.296864
Br 6.097823 -0.757365 1.940817
F -0.872409 -2.777860 1.837767
F 0.646208 -2.560495 0.195518
F 0.763248 -1.257997 2.058333
O -2.193868 2.668873 -2.693954
O -0.467233 3.139590 -1.280077
O -5.094354 -1.317150 1.266569
O -5.668926 0.357115 -0.181543
N 0.717014 0.333480 -1.016740
N -1.399915 2.364112 -1.722285
N -4.801352 -0.387620 0.418738
C -0.582292 0.225967 -0.507559
C -1.032122 -0.796889 0.433417
C -1.643150 1.080629 -1.010016
C 1.922971 0.023704 -0.281353
C -2.396554 -0.956018 0.731475
C -3.007244 0.863807 -0.762201
C -3.376463 -0.160271 0.114478
C 0.993953 1.000157 -2.320749
C -0.136354 -1.815341 1.111521
C 2.320663 0.793296 0.851718
C 2.842837 -0.963435 -0.743477
C 3.540128 0.566263 1.520548
C 4.071670 -1.202749 -0.099690
C 4.403052 -0.433175 1.033059
H -2.723843 -1.734567 1.423793
H -3.761319 1.516857 -1.208849
H 1.211892 2.073626 -2.185064
H 0.135803 0.879193 -3.001549
H 1.860014 0.507892 -2.785336
H 3.808364 1.164512 2.393598
H 4.746110 -1.977215 -0.470026


