%chk=000173321.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173321

0 1
 Br -0.8271000       1.605700     -0.3367000    
 O   -1.878500      -1.354100     -0.1879000    
 O   -3.466100       3.312300      0.2320000    
 O   -1.235100      -2.520300       1.698600    
 O   -4.283900       1.637500      -1.634200    
 O   -2.813800      0.1222000      -2.212300    
 N   -3.319500      0.8977000      -1.389600    
 C    3.072600      -1.687500     -0.1295000    
 C   -2.675600      0.9795000      6.0999999E-03
 C    3.609800     -0.2612000     -0.2707000    
 C    1.564000      -1.740800     -0.3771000    
 C   -2.621900     -0.4401000      0.6244000    
 C    5.113300     -0.2058000      9.1000004E-03
 C    1.021600      -3.159500     -0.2031000    
 C   -3.409100       2.037400      0.8805000    
 C    5.699000       1.205700     -8.7899998E-02
 C  -0.4753000      -3.219000     -0.4821000    
 C   -3.990400      -1.073900      0.8631000    
 C    7.196600       1.264900      0.2160000    
 C   -1.232800      -2.347900      0.4867000    
 C   -2.790900       2.274000       2.258700    
 C    7.743200       2.673000      3.5900000E-02
 H    3.586200      -2.346400     -0.8400000    
 H    3.291700      -2.063500      0.8773000    
 H    3.084500      0.4013000      0.4278000    
 H    3.410300      0.1114000      -1.282500    
 H    1.071100      -1.059200      0.3250000    
 H    1.344600      -1.381000      -1.389700    
 H   -2.118300     -0.3474000       1.594700    
 H    5.637500     -0.8610000     -0.6977000    
 H    5.308600     -0.6030000       1.013100    
 H    1.226700      -3.508900      0.8162000    
 H    1.539200      -3.841000     -0.8883000    
 H   -4.450800       1.726300       1.023200    
 H    5.517900       1.595400      -1.097500    
 H    5.164100       1.866000      0.6061000    
 H  -0.8504000      -4.242900     -0.3778000    
 H  -0.6835000      -2.907700      -1.512300    
 H   -4.530600      -1.224900     -7.7500001E-02
 H   -4.609700     -0.4672000       1.529000    
 H   -3.891500      -2.064900       1.319000    
 H    7.737500      0.5819000     -0.4490000    
 H    7.380000      0.9313000       1.243900    
 H   -1.790100       2.711400       2.196000    
 H   -2.744700       1.357800       2.852400    
 H   -3.396200       2.997000       2.818500    
 H    7.604600       3.019400     -0.9932000    
 H    8.814300       2.694900      0.2601000    
 H    7.241000       3.377300      0.7067000    
 H   -4.005100       3.902600      0.7859000    


%chk=000173321-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173321

0 1
Br -1.128718 1.771295 0.173850
O -2.137378 -1.266450 -0.081155
O -3.917292 3.192292 0.058053
O -0.993552 -2.187404 1.731756
O -4.708671 0.475618 -1.415387
O -2.666576 0.976538 -2.278001
N -3.468371 0.815771 -1.312408
C 3.274831 -1.628998 -0.188862
C -2.984269 0.990551 0.191722
C 3.959047 -0.253594 -0.354337
C 1.759155 -1.588315 -0.484204
C -2.915191 -0.412868 0.858621
C 5.468530 -0.273964 -0.023195
C 1.075953 -2.963487 -0.314277
C -3.978922 1.967237 0.865259
C 6.148456 1.103492 -0.189509
C -0.451355 -2.916861 -0.572468
C -4.251264 -1.114287 1.152504
C 7.655612 1.089564 0.154812
C -1.177302 -2.123720 0.496169
C -3.687162 2.247686 2.348218
C 8.325876 2.470078 -0.014962
H 3.764222 -2.365697 -0.860286
H 3.435089 -1.995203 0.846679
H 3.451541 0.486101 0.300451
H 3.815433 0.104301 -1.395348
H 1.279382 -0.851168 0.192195
H 1.591609 -1.217724 -1.516836
H -2.327988 -0.315333 1.790800
H 5.977955 -1.014925 -0.674669
H 5.609904 -0.628172 1.019583
H 1.253857 -3.344426 0.709655
H 1.526918 -3.692022 -1.016071
H -4.977205 1.497304 0.749716
H 6.015245 1.454823 -1.234260
H 5.633790 1.846664 0.455234
H -0.863353 -3.945789 -0.554789
H -0.681634 -2.483868 -1.560625
H -4.828822 -1.283722 0.230661
H -4.870160 -0.530060 1.856049
H -4.029775 -2.084909 1.627965
H 8.169165 0.345860 -0.488487
H 7.787170 0.739553 1.199324
H -2.713008 2.751098 2.459029
H -3.684824 1.325363 2.956376
H -4.472105 2.910130 2.757214
H 8.237699 2.827527 -1.058341
H 9.401122 2.433729 0.240290
H 7.848372 3.224677 0.638442
H -4.662034 3.790513 0.317251


