%chk=000124556.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124556

0 1
 Br   9.640000      0.3645000      7.5800002E-02
 O    1.764200       1.507100      2.2900000E-02
 O   -4.521500      -2.030500       1.218400    
 O   -4.662200      -2.142000      -1.047500    
 O   -4.993000       2.405900      7.3000002E-03
 O   -5.687000      0.3234000     -1.4500000E-02
 N   0.5801000     -0.5198000     -2.4100000E-02
 N   -4.765600       1.173200     -5.5000000E-03
 C    4.275500      0.2305000     -1.3300000E-02
 C    5.518000     -0.6651000     -2.9899999E-02
 C    2.977500     -0.5759000     -2.3800001E-02
 C    6.801500      0.1662000      1.5900001E-02
 C    1.718100      0.2819000     -1.3800000E-02
 C    8.030600     -0.7247000     -4.1400000E-02
 C  -0.7714000     -9.9399999E-02 -1.9600000E-02
 C   -1.777200      -1.051600     -2.8999999E-02
 C   -3.109100     -0.6370000     -2.4599999E-02
 C   -1.059100       1.255200     -5.7999999E-03
 C   -3.415900      0.7236000     -1.0800000E-02
 C   -2.390900       1.669600     -1.3000000E-03
 C   -4.152600      -1.655400     -3.5500001E-02
 H    4.295400      0.9016000     -0.8812000    
 H    4.297200      0.8711000      0.8773000    
 H    5.491200      -1.347100      0.8286000    
 H    5.509800      -1.283300     -0.9358000    
 H    2.947300      -1.210800     -0.9178000    
 H    2.946500      -1.233300      0.8537000    
 H    6.814000      0.7674000      0.9337000    
 H    6.813400      0.8723000     -0.8240000    
 H    8.068100      -1.425300      0.7973000    
 H    8.093000      -1.277300     -0.9827000    
 H   0.7187000      -1.528100     -3.9400000E-02
 H   -1.535900      -2.111800     -4.0100001E-02
 H  -0.3244000       2.046500     -1.9999999E-04
 H   -2.589400       2.738500      9.2000002E-03
 H   -5.223600      -2.715500       1.202900    


%chk=000124556-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000124556

0 1
Br 9.578109 0.329091 -1.319826
O 1.760379 1.404553 1.005297
O -5.130335 -1.707833 0.367750
O -3.890571 -2.599915 -1.388461
O -5.178023 2.278018 0.436292
O -5.494216 0.625086 -1.109261
N 0.610803 -0.524059 0.319823
N -4.788272 1.232995 -0.214376
C 4.227127 0.104984 -0.001764
C 5.572896 -0.634982 0.165471
C 3.054323 -0.651457 0.667871
C 6.732267 0.109296 -0.547208
C 1.770768 0.183551 0.680915
C 8.060466 -0.625945 -0.356337
C -0.723752 -0.057942 0.258656
C -1.725322 -0.995572 -0.115384
C -3.077532 -0.621279 -0.213664
C -1.095790 1.283646 0.554942
C -3.422025 0.731333 0.041224
C -2.443492 1.665152 0.438937
C -4.060327 -1.714178 -0.522575
H 4.009480 0.245573 -1.078926
H 4.288767 1.114541 0.444696
H 5.802351 -0.737007 1.246452
H 5.489208 -1.664758 -0.239976
H 2.896757 -1.632211 0.177114
H 3.320351 -0.859358 1.724354
H 6.815438 1.138205 -0.149696
H 6.509670 0.198172 -1.627286
H 8.381141 -0.662542 0.696667
H 8.052659 -1.638887 -0.788798
H 0.749532 -1.504877 0.063970
H -1.461720 -2.038563 -0.327105
H -0.328836 2.001099 0.849170
H -2.750203 2.696603 0.632748
H -5.790778 -2.405934 0.109692


