%chk=000127801.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127801

0 1
 Br  -5.751600      -3.461000      -2.093100    
 O    7.025500     -0.8681000       1.450100    
 O    3.400200      -2.608500      -1.589100    
 O   -3.098500      -4.258300     -0.9782000    
 O    5.024900     -0.8309000       2.520900    
 O   -3.908600       1.866400      -2.093800    
 O    4.823700       3.905000     -0.7727000    
 O    5.831000       2.602800      -2.333800    
 N   -2.699600      -2.404200      0.4329000    
 N    3.651000      -1.206200      0.2404000    
 N   -2.584000       3.934500       1.071400    
 N   -3.325500       3.890100      -1.191000    
 N   -2.698600       5.884200     -0.1314000    
 C   -3.229300      -1.693000       1.568500    
 C    5.072000     -0.9882000      9.0999998E-02
 C   -3.056900     -0.2166000       1.443300    
 C    5.395900      0.2025000     -0.8196000    
 C   -1.263900      -2.302900      0.1628000    
 C   -3.357400      0.4191000      0.2387000    
 C   -3.194500       1.802900      0.1316000    
 C    4.901000       1.570300     -0.3323000    
 C   -2.733600       2.554600       1.220000    
 C    1.471400      -2.112400     -0.3515000    
 C   -2.597500      0.5250000       2.532100    
 C  -0.3760000      -2.029600       1.203300    
 C  -0.7842000      -2.481200      -1.134900    
 C    2.897000      -2.012600     -0.6202000    
 C   -2.436000       1.907200       2.421900    
 C   0.9915000      -1.934400      0.9461000    
 C   0.5834000      -2.385900      -1.391900    
 C   -3.505900      -3.264000     -0.3731000    
 C    5.667000     -0.8757000       1.479600    
 C   -3.504300       2.519100      -1.136600    
 C    5.234700       2.709600      -1.271100    
 C   -4.973300      -2.885200     -0.4067000    
 C   -2.890900       4.525400     -0.1336000    
 H   -2.765800      -2.090100       2.479200    
 H   -4.294900      -1.899300       1.710400    
 H    5.492800      -1.896800     -0.3578000    
 H    4.972100      1.3200000E-02  -1.814800    
 H    6.483200      0.2584000     -0.9614000    
 H   -3.710100     -0.1468000     -0.6169000    
 H    3.184700     -0.6754000      0.9691000    
 H    5.353900       1.798700      0.6387000    
 H    3.811800       1.548400     -0.2161000    
 H   -2.362300      3.9000001E-02   3.475400    
 H  -0.6932000      -1.915300       2.234000    
 H   -1.449800      -2.660700      -1.974100    
 H   -2.077200       2.471900       3.278600    
 H    1.651400      -1.756400       1.790400    
 H   0.9360000      -2.515900      -2.411800    
 H   -2.251500       4.476800       1.859300    
 H   -5.148200      -1.811900     -0.3629000    
 H   -5.514300      -3.402500      0.3888000    
 H    7.410100     -0.8116000       2.350800    
 H   -2.361200       6.369700      0.6924000    
 H   -2.888000       6.442200     -0.9569000    
 H    5.054000       4.648400      -1.369900    


%chk=000127801-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127801

0 1
Br -6.048652 -4.459964 -1.383894
O 7.223513 -1.098386 1.366378
O 3.387590 -1.988788 -1.890138
O -3.002784 -4.061537 -1.290745
O 5.224710 -0.923826 2.534980
O -4.043638 2.008948 -2.230015
O 4.977030 3.818190 -0.616715
O 6.163721 2.580802 -2.182569
N -2.735107 -2.410227 0.349022
N 3.743534 -1.245903 0.273897
N -2.760601 4.080965 1.071149
N -3.480595 4.051649 -1.233290
N -2.923382 6.067209 -0.204976
C -3.294667 -1.646061 1.496988
C 5.189819 -1.118115 0.069448
C -3.117042 -0.135406 1.373759
C 5.590710 0.100855 -0.819282
C -1.317749 -2.269638 0.091311
C -3.415524 0.535895 0.170602
C -3.302460 1.939460 0.068879
C 5.110712 1.444657 -0.244769
C -2.871228 2.682737 1.203987
C 1.468512 -1.912270 -0.393996
C -2.687553 0.625355 2.492988
C -0.408247 -2.145972 1.172022
C -0.820705 -2.224039 -1.237551
C 2.921632 -1.729061 -0.733189
C -2.563210 2.024663 2.419336
C 0.967946 -1.966785 0.931546
C 0.554779 -2.055734 -1.468854
C -3.508674 -3.314184 -0.416628
C 5.837778 -1.042656 1.447226
C -3.637840 2.647456 -1.215828
C 5.488410 2.613955 -1.132306
C -5.021184 -3.325264 -0.096382
C -3.066054 4.696344 -0.146809
H -2.842971 -1.999999 2.443699
H -4.368633 -1.878548 1.576545
H 5.562158 -2.021930 -0.451317
H 5.147877 -0.070081 -1.814667
H 6.687513 0.101814 -0.941576
H -3.735697 -0.003253 -0.728889
H 3.392079 -1.036997 1.211685
H 5.534031 1.643315 0.760268
H 4.011648 1.451156 -0.117190
H -2.443545 0.115569 3.433189
H -0.759298 -2.207520 2.206549
H -1.505826 -2.327274 -2.080585
H -2.225272 2.597005 3.291357
H 1.639719 -1.911026 1.796623
H 0.950567 -2.027580 -2.488861
H -2.450694 4.629209 1.874983
H -5.469682 -2.321689 -0.169927
H -5.226622 -3.760278 0.895301
H 7.619897 -1.040094 2.277719
H -2.599793 6.639532 0.570124
H -3.149962 6.501494 -1.097155
H 5.242602 4.565651 -1.218959


