%chk=000057800.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057800

0 1
 Br  -4.069500       2.565300       1.592500    
 O   -3.983800     -0.2859000       1.257000    
 O  -0.5977000      -3.791100      -1.207800    
 N    1.165000     -0.9606000     -0.4274000    
 C   -2.119600     -0.6977000      4.9500000E-02
 C   -1.212200      -1.551400     -0.6021000    
 C   2.3000001E-03  -1.037100      -1.310200    
 C   -2.228100      0.7026000      0.2559000    
 C   -3.222600      -1.260100      0.6837000    
 C   -1.456800      -2.931400     -0.5858000    
 C   -1.361100       1.760700     -0.1818000    
 C   -3.492600      -2.627100      0.7166000    
 C   -3.373700      0.8986000      0.9921000    
 C    2.328600     -0.4680000      -1.148400    
 C   -2.577600      -3.457100      6.2100001E-02
 C    3.542800     -0.3827000     -0.2622000    
 C   -1.578100       2.375700      -1.414800    
 C  -0.3016000       2.173000      0.6266000    
 C    3.798400      0.7890000      0.4366000    
 C    4.389700      -1.477200     -0.1568000    
 C  -0.7359000       3.403400      -1.839400    
 C   0.5407000       3.200500      0.2017000    
 C   0.3235000       3.816100      -1.031100    
 C    4.923400      0.8674000       1.257700    
 C    5.514800      -1.398600      0.6641000    
 C    5.781600     -0.2263000       1.371700    
 H   0.2290000      -1.687700      -2.165100    
 H  -0.2069000     -6.2899999E-02  -1.760500    
 H   0.9579000     -0.3347000      0.3504000    
 H   -4.363700      -3.027000       1.221600    
 H    2.127600      0.5236000      -1.575400    
 H    2.557100      -1.124100      -1.998600    
 H   -2.755500      -4.530300      6.6699997E-02
 H   -2.398600       2.065400      -2.057500    
 H  -0.1179000       1.704200       1.590500    
 H    3.139600       1.647200      0.3541000    
 H    4.190400      -2.395700     -0.7018000    
 H  -0.9209000      -4.701500      -1.095900    
 H  -0.9046000       3.882100      -2.799600    
 H    1.364400       3.523100      0.8317000    
 H   0.9794000       4.616100      -1.361700    
 H    5.131300       1.780500       1.808000    
 H    6.182800      -2.250300      0.7530000    
 H    6.657400     -0.1652000       2.011000    


%chk=000057800-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057800

0 1
Br -4.044441 2.254998 2.055510
O -3.944578 -0.497718 1.463135
O -0.673393 -3.789059 -1.622624
N 1.125198 -0.901773 -0.564887
C -2.117218 -0.834160 0.048792
C -1.236491 -1.621079 -0.747387
C -0.042430 -1.034940 -1.475524
C -2.192974 0.598431 0.374821
C -3.200985 -1.459957 0.731328
C -1.523633 -3.008123 -0.813345
C -1.304902 1.705067 -0.078841
C -3.483128 -2.827129 0.673943
C -3.289067 0.723260 1.209396
C 2.293977 -0.254863 -1.202793
C -2.619067 -3.605058 -0.124331
C 3.493296 -0.198348 -0.263937
C -1.593543 2.420161 -1.270471
C -0.158772 2.064689 0.677738
C 4.344056 0.935201 -0.251657
C 3.791766 -1.287832 0.594263
C -0.752066 3.471234 -1.698867
C 0.689044 3.109402 0.244528
C 0.394690 3.814676 -0.945290
C 5.480152 0.977012 0.589084
C 4.922454 -1.245680 1.439912
C 5.773368 -0.114809 1.438446
H 0.248646 -1.711897 -2.297537
H -0.331739 -0.056961 -1.930130
H 0.865317 -0.413991 0.304624
H -4.326031 -3.266422 1.212632
H 2.069321 0.776749 -1.572665
H 2.549703 -0.858566 -2.098928
H -2.794698 -4.684304 -0.214667
H -2.481373 2.153043 -1.854596
H 0.056613 1.538106 1.615256
H 4.115027 1.787810 -0.903967
H 3.120345 -2.153194 0.589112
H -0.927856 -4.743326 -1.579014
H -0.990420 4.018904 -2.617382
H 1.571544 3.372893 0.837966
H 1.048514 4.628379 -1.278532
H 6.130572 1.859429 0.585615
H 5.142417 -2.094024 2.098552
H 6.651485 -0.083429 2.093617


