%chk=000001937.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001937

0 1
 Br  -1.899300      -3.518300     -0.1020000    
 O    1.158000      -1.027100     -0.6949000    
 N    6.075600      -1.007200     -0.1922000    
 N    2.654600      0.3105000      0.4660000    
 N   -1.353400     -0.4756000     -4.6599999E-02
 N   -3.188500       1.575200      6.1200000E-02
 C    4.973100     -5.5100001E-02 -0.2324000    
 C    3.751900     -0.6302000      0.4699000    
 C   0.4174000       1.107000     -6.5800004E-02
 C  -0.9417000      0.8020000     -2.9600000E-02
 C   -1.873700       1.843400      2.4900001E-02
 C    1.415600      4.4900000E-02 -0.1239000    
 C   -2.668200     -0.7438000     -1.0600000E-02
 C   -3.600200      0.2976000      4.4300001E-02
 C   0.8641000       2.426900     -4.8900001E-02
 C   -1.420700       3.161100      4.1400000E-02
 C    6.415300      -1.345600       1.191300    
 C    7.248100     -0.4691000     -0.8848000    
 C  -5.9900001E-02   3.459600      4.8000002E-03
 C   -3.121200      -2.061400     -2.7600000E-02
 C   -4.959200     -7.4000000E-03  8.1400000E-02
 C   -4.482000      -2.360000      9.4999997E-03
 C   -5.406000      -1.327300      6.4499997E-02
 H    5.253000      0.9021000      0.2281000    
 H    4.706900      0.1631000      -1.274800    
 H    3.933200     -0.8195000       1.531700    
 H    3.442100      -1.572800      5.7999999E-03
 H    2.793100       1.167500      0.9917000    
 H    1.915500       2.691300     -0.1102000    
 H   -2.136400       3.979800      8.1799999E-02
 H    7.343200      -1.930000       1.223300    
 H    6.562700     -0.4577000       1.817000    
 H    5.662600      -1.993800       1.650300    
 H    7.006200     -0.2389000      -1.928500    
 H    7.627300      0.4425000     -0.4089000    
 H    8.055900      -1.209100     -0.9079000    
 H   0.2719000       4.493300      1.0700000E-02
 H   -5.693600      0.7945000      0.1244000    
 H   -4.835100      -3.387500     -3.5999999E-03
 H   -6.469400      -1.544000      9.3999997E-02


%chk=000001937-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000001937

0 1
Br 0.205458 -2.814911 0.856249
O 2.895227 2.275939 -1.674068
N 5.465664 -1.218859 0.200582
N 2.112632 0.222070 -0.882291
N -0.468009 0.131040 -0.036170
N -2.969182 1.509455 0.185724
C 4.211321 -0.442009 0.299992
C 3.400438 -0.467596 -1.022383
C 0.561799 2.130776 -1.014701
C -0.577707 1.431361 -0.455094
C -1.863638 2.129619 -0.332275
C 1.955586 1.545910 -1.210801
C -1.559317 -0.490701 0.489575
C -2.842980 0.210619 0.598649
C 0.388826 3.459694 -1.412780
C -1.978299 3.493846 -0.762895
C 5.251261 -2.678082 0.256184
C 6.489663 -0.776803 1.168721
C -0.866718 4.141378 -1.291743
C -1.495582 -1.851896 0.956384
C -3.984792 -0.466238 1.145377
C -2.615498 -2.485564 1.482626
C -3.868409 -1.783862 1.573631
H 3.558697 -0.804117 1.137704
H 4.465611 0.611538 0.515038
H 3.202041 -1.508659 -1.335979
H 3.990169 0.031045 -1.808780
H 1.286132 -0.256464 -0.475401
H 1.267717 3.966213 -1.826903
H -2.951327 3.982105 -0.656959
H 6.213711 -3.200566 0.112011
H 4.814102 -3.018163 1.232026
H 4.572822 -3.001669 -0.551638
H 6.686913 0.301176 1.034965
H 6.197651 -0.947573 2.236762
H 7.433406 -1.321693 0.984309
H -0.941889 5.182376 -1.622470
H -4.924516 0.089337 1.208252
H -2.547312 -3.519927 1.831799
H -4.732873 -2.309249 1.991569


