%chk=000050668.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050668

1 1
 Br   7.048500     -1.2500000E-02  -1.344400    
 O  -0.8952000      0.3686000      0.9923000    
 O   0.4173000       1.273600     -0.6675000    
 N   -3.052900      -2.118500     -0.2181000    
 N   -3.810600      0.9153000      -1.139600    
 N    1.437600     -6.1900001E-02  0.9833000    
 C   -2.371200      -1.018000      -1.018400    
 C   -4.563000      -1.971500     -0.3374000    
 C   -2.630800      -3.476100     -0.7612000    
 C   -2.646600      -2.008500       1.244400    
 C   -2.732400      0.3603000     -0.5487000    
 C   -1.972600      0.9733000      0.4299000    
 C   -2.346900       2.250600      0.8323000    
 C   -4.144100       2.157500     -0.7228000    
 C   -3.452000       2.861000      0.2498000    
 C   0.3542000      0.5921000      0.3539000    
 C    2.774400     -5.0700001E-02  0.4288000    
 C    1.225200     -0.8494000       2.206200    
 C    2.907700      2.8000001E-02 -0.9319000    
 C    3.833000     -0.1186000       1.295100    
 C    4.196100      3.9700001E-02  -1.466400    
 C    5.121300     -0.1067000      0.7605000    
 C    5.302900     -2.7500000E-02 -0.6202000    
 H   -2.678800      -1.144100      -2.064800    
 H   -1.291000      -1.200400     -0.9857000    
 H   -4.830100      -1.927200      -1.397400    
 H   -5.025600      -2.848500      0.1267000    
 H   -4.892000      -1.074900      0.1941000    
 H   -1.544100      -3.563600     -0.6690000    
 H   -3.126300      -4.255800     -0.1752000    
 H   -2.933000      -3.537900      -1.810800    
 H   -1.559100      -2.068100       1.307500    
 H   -3.052400      -1.096700       1.686700    
 H   -3.079900      -2.865500       1.771600    
 H   -1.782700       2.774800       1.598500    
 H   -5.013500       2.589000      -1.207700    
 H   -3.762200       3.855900      0.5479000    
 H   0.1744000      -1.093400       2.364400    
 H    1.560400     -0.2612000       3.066200    
 H    1.779700      -1.791600       2.147100    
 H    2.078400      2.0199999E-02  -1.628600    
 H    3.724900     -0.1627000       2.373100    
 H    4.320700      8.8200003E-02  -2.545100    
 H    5.973400     -0.1559000       1.433700    


%chk=000050668-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050668

1 1
Br 6.857563 -1.072909 -2.109867
O -0.566568 0.827014 1.373863
O 0.167201 0.313560 -0.810246
N -3.201366 -2.313626 -0.324485
N -3.987433 0.505603 -0.096218
N 1.696079 0.502661 0.995685
C -2.168019 -1.202177 -0.054990
C -3.911380 -2.078214 -1.663877
C -2.430372 -3.631775 -0.405389
C -4.236253 -2.414748 0.796873
C -2.711500 0.183967 0.265779
C -1.870948 1.133769 0.907534
C -2.367859 2.423427 1.187940
C -4.465374 1.753969 0.172120
C -3.689422 2.743348 0.814573
C 0.463386 0.527504 0.391790
C 2.878753 0.123638 0.240288
C 1.861725 0.802920 2.443792
C 3.032654 0.477667 -1.123687
C 3.915397 -0.580010 0.902946
C 4.207751 0.120992 -1.816951
C 5.093877 -0.933298 0.212222
C 5.230521 -0.582906 -1.146617
H -1.517125 -1.140590 -0.945505
H -1.539438 -1.552256 0.784498
H -3.154556 -2.061284 -2.463390
H -4.620571 -2.903919 -1.831327
H -4.428984 -1.111257 -1.598239
H -1.993412 -3.858928 0.579190
H -3.125958 -4.432553 -0.698748
H -1.632266 -3.537197 -1.157408
H -3.711576 -2.510078 1.760370
H -4.850861 -1.505105 0.782575
H -4.857319 -3.306004 0.617216
H -1.720046 3.149443 1.687561
H -5.495170 1.953218 -0.139170
H -4.107781 3.733828 1.012010
H 1.070273 1.487394 2.774013
H 2.841930 1.281164 2.592751
H 1.807147 -0.115003 3.056398
H 2.246122 1.021951 -1.649097
H 3.818384 -0.866352 1.954245
H 4.324854 0.400818 -2.867483
H 5.889037 -1.476966 0.729558


