%chk=000108817.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108817

0 1
 Br   7.184400      0.5832000      -2.167700    
 O    2.477900     -0.8364000       1.343300    
 O  -0.1529000       3.037800      0.7012000    
 O   -2.136000      -2.610000      6.9300003E-02
 O   -2.627600       2.710300      3.2000002E-02
 N   0.3690000      -2.506400      0.7480000    
 C   -1.059200     -0.5229000      0.3968000    
 C   -1.191300      0.8672000      0.3855000    
 C   -3.505900     -0.7609000     -0.2660000    
 C   -3.638100      0.6293000     -0.2772000    
 C   -2.211700      -1.387800      7.1699999E-02
 C   0.1730000      -1.104600      0.7184000    
 C   -2.485500       1.494100      4.7899999E-02
 C  -9.1100000E-02   1.675800      0.6955000    
 C    1.266800     -0.2951000       1.026800    
 C    1.135000       1.092100       1.015300    
 C   -4.606100      -1.569500     -0.5759000    
 C   -4.870400       1.211000     -0.5986000    
 C   -5.832400     -0.9857000     -0.8953000    
 C   -5.964200      0.4016000     -0.9067000    
 C    3.555400     -0.5104000      0.5391000    
 C    3.403400     -0.5351000     -0.8361000    
 C    4.759400     -0.1687000       1.129700    
 C    4.490300     -0.2075000      -1.646700    
 C    5.846200      0.1591000      0.3190000    
 C    5.711600      0.1395000      -1.069100    
 H    1.985800       1.721100       1.267600    
 H   -4.532000      -2.653600     -0.5748000    
 H   -5.000700       2.289700     -0.6149000    
 H   -6.685500      -1.613500      -1.135600    
 H   -6.920000      0.8535000      -1.155800    
 H    1.281000      -2.876900      0.9820000    
 H  -0.3842000      -3.142600      0.5303000    
 H   0.7160000       3.403600      0.9392000    
 H    2.469500     -0.8201000      -1.311000    
 H    4.865400     -0.1529000       2.210200    
 H    4.370200     -0.2315000      -2.726700    
 H    6.790800      0.4273000      0.7851000    


%chk=000108817-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108817

0 1
Br 8.064933 0.984871 -0.878626
O 2.439897 -1.087268 0.595344
O -0.182358 3.016555 -0.017720
O -2.338303 -2.731802 0.236441
O -2.794896 2.756714 -0.294467
N 0.233375 -2.577805 0.463592
C -1.208945 -0.589659 0.160935
C -1.314576 0.851205 0.029417
C -3.736213 -0.804124 -0.054462
C -3.849020 0.606023 -0.188401
C -2.409018 -1.444579 0.121053
C 0.071152 -1.222832 0.332770
C -2.643961 1.498850 -0.158572
C -0.123526 1.625579 0.088499
C 1.237403 -0.382430 0.369103
C 1.146030 1.000684 0.258854
C -4.900915 -1.614168 -0.089279
C -5.128788 1.192209 -0.355783
C -6.167550 -1.024240 -0.254910
C -6.281637 0.384741 -0.388770
C 3.697929 -0.528285 0.239663
C 3.932278 0.024185 -1.039915
C 4.735328 -0.650918 1.185993
C 5.229145 0.474092 -1.370154
C 6.034455 -0.205560 0.854483
C 6.265459 0.357165 -0.418395
H 2.054719 1.612028 0.313872
H -4.778935 -2.696417 0.015733
H -5.183544 2.280617 -0.456815
H -7.065543 -1.650945 -0.280956
H -7.268057 0.843408 -0.517837
H 1.169834 -2.955795 0.592655
H -0.630603 -3.143855 0.433276
H 0.727935 3.404745 0.058291
H 3.123885 0.089865 -1.774472
H 4.524329 -1.091729 2.164282
H 5.426828 0.897953 -2.358607
H 6.847774 -0.294977 1.579687


