%chk=000063633.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063633

0 1
 Br -0.8746000      -6.181400     -8.4500000E-02
 O    1.934100     -0.1648000      -1.672500    
 O    2.748200       2.399400      -2.418700    
 O   -5.078700      -1.121500     -0.8719000    
 O    8.242800      0.9553000       1.531900    
 O    8.447400     -0.5722000     -3.1300001E-02
 N  -0.1306000      0.6396000      0.2112000    
 N   -3.096800     -0.5039000      0.2416000    
 N   -2.882500       1.722000       1.054600    
 N    7.755200      0.2509000      0.6152000    
 C    2.223400      0.8028000     -0.6480000    
 C    1.282700      0.4801000      0.5431000    
 C    3.712100      0.6550000     -0.3085000    
 C    1.973700       2.204000      -1.243700    
 C  -0.9757000      0.3166000       1.338900    
 C   -2.401300      0.5305000      0.8724000    
 C    4.459800     -0.2492000      -1.023700    
 C    4.234800       1.432200      0.6966000    
 C   -4.375100     -0.2828000     -0.3137000    
 C   -4.918300       1.080100     -0.1355000    
 C   -4.157800       2.017600      0.5631000    
 C   -2.573700      -1.840300      0.1647000    
 C    5.813300     -0.3843000     -0.7148000    
 C    5.588200       1.297300       1.005500    
 C    6.377600      0.3890000      0.3000000    
 C   -6.182300       1.415200     -0.6357000    
 C   -4.677500       3.302800      0.7573000    
 C   -1.816600      -2.218400     -0.9367000    
 C   -2.831500      -2.738000       1.193200    
 C   -6.688100       2.698900     -0.4358000    
 C   -5.937000       3.642300      0.2613000    
 C   -1.309000      -3.515500      -1.011300    
 C   -2.323800      -4.035100       1.118900    
 C   -1.562500      -4.423900      1.6600000E-02
 H    1.522800       1.132300       1.391000    
 H    1.462400     -0.5557000      0.8617000    
 H   0.9299000       2.313200      -1.555500    
 H    2.192700       3.010800     -0.5362000    
 H  -0.3587000      4.2300001E-02 -0.5806000    
 H  -0.8180000     -0.7070000       1.687600    
 H  -0.7783000      0.9934000       2.178900    
 H    4.068700     -0.8689000      -1.822700    
 H    3.634700       2.145500       1.251800    
 H    1.054400      3.1700000E-02  -2.035900    
 H    6.398400      -1.101100      -1.285600    
 H    5.993900       1.916700       1.801500    
 H    3.674900       2.515500      -2.149900    
 H   -6.785900      0.6931000      -1.178500    
 H   -4.100100       4.050900       1.295400    
 H   -1.620000      -1.521500      -1.746800    
 H   -3.423200      -2.443200       2.055600    
 H   -7.668200       2.962800     -0.8220000    
 H   -6.330200       4.642600      0.4174000    
 H  -0.7190000      -3.802700      -1.877800    
 H   -2.530500      -4.730500       1.928400    


%chk=000063633-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063633

0 1
Br -0.595088 -5.880230 -0.919185
O 1.905325 -0.779263 -1.323509
O 2.416343 1.328987 -2.923106
O -5.025244 -0.998946 -1.047380
O 8.317070 1.594783 1.512880
O 8.540282 -0.555967 0.786167
N -0.084039 0.377193 0.252248
N -3.135012 -0.311581 0.178979
N -3.000846 1.851807 1.231933
N 7.846108 0.514439 0.984014
C 2.231356 0.469103 -0.612279
C 1.330773 0.481345 0.650809
C 3.714810 0.487797 -0.201531
C 1.883384 1.639074 -1.580487
C -1.034303 0.420068 1.386065
C -2.459710 0.684369 0.924315
C 4.521835 -0.663089 -0.384995
C 4.287834 1.645028 0.393636
C -4.462923 -0.103710 -0.356565
C -5.054436 1.198711 -0.002852
C -4.308686 2.127810 0.789990
C -2.531850 -1.612848 -0.075330
C 5.877400 -0.664176 -0.000894
C 5.639404 1.662996 0.785835
C 6.418414 0.503586 0.577676
C -6.365803 1.522102 -0.439405
C -4.897941 3.374444 1.137243
C -2.050866 -1.921303 -1.366886
C -2.471026 -2.572067 0.958758
C -6.935706 2.756997 -0.088922
C -6.197465 3.682953 0.702203
C -1.477951 -3.185475 -1.622704
C -1.895349 -3.838353 0.714424
C -1.400846 -4.126536 -0.574638
H 1.485652 1.426214 1.207639
H 1.672513 -0.351155 1.312676
H 0.790722 1.685059 -1.695758
H 2.259926 2.611582 -1.213046
H -0.207964 -0.452688 -0.345293
H -0.994005 -0.495285 2.024013
H -0.778466 1.280814 2.025113
H 4.061767 -1.552608 -0.824151
H 3.678824 2.540842 0.560645
H 2.066078 -0.585784 -2.291563
H 6.514638 -1.542277 -0.135209
H 6.097602 2.543458 1.243855
H 3.386374 1.530289 -2.952418
H -6.906752 0.787287 -1.044489
H -4.310633 4.071027 1.742880
H -2.137859 -1.185439 -2.171613
H -2.884651 -2.341051 1.945842
H -7.947516 3.009677 -0.422603
H -6.647253 4.644631 0.972425
H -1.100455 -3.429074 -2.619210
H -1.843190 -4.585069 1.511358


