%chk=000053272.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053272

0 1
 Br -0.1067000      -1.008000       5.187900    
 O  -0.2601000     -4.3499999E-02  -2.472400    
 N   -1.568500     -0.7920000     -0.6627000    
 N   -3.891600     -0.3042000     -0.9342000    
 C   0.6580000     -3.2800000E-02 -0.1629000    
 C  -0.1151000     -0.4886000       1.074400    
 C  -0.4237000     -0.2747000      -1.281700    
 C   -1.395500     -0.9160000      0.7191000    
 C    1.857000     -0.8800000     -0.4303000    
 C    1.013300       1.415900     -0.1129000    
 C   -2.778000      -1.152700      -1.364900    
 C   0.2831000     -0.5065000       2.405400    
 C   -2.302400      -1.375700       1.660500    
 C    2.935700     -0.8583000      0.4527000    
 C    2.079600       1.897700     -0.8710000    
 C    1.897700      -1.691700      -1.563400    
 C   0.2791000       2.285600      0.6926000    
 C  -0.6191000     -0.9669000       3.367600    
 C   -1.901900      -1.398800       2.997500    
 C   -5.126100     -0.6264000      -1.655800    
 C   -3.554100       1.106400      -1.138800    
 C    4.057000      -1.649400      0.2024000    
 C    2.412400       3.251400     -0.8236000    
 C    3.018800      -2.483000      -1.813700    
 C   0.6117000       3.639500      0.7399000    
 C    4.098500      -2.462000     -0.9307000    
 C    1.678400       4.122400     -1.8200001E-02
 C   -5.508100      -2.084600      -1.466200    
 C   -4.660500       2.015000     -0.6304000    
 C    5.297100      -3.308100      -1.198700    
 C    2.033800       5.570000      3.2699998E-02
 H   -2.952100      -2.209500      -1.136600    
 H   -2.607900      -1.068500      -2.445500    
 H    1.263100     -0.1527000       2.704100    
 H   -3.294700      -1.719000       1.391800    
 H    2.951500     -0.2175000       1.328000    
 H    2.658000       1.267400      -1.539900    
 H    1.093800      -1.810200      -2.276700    
 H  -0.5807000       1.971800       1.275500    
 H   -2.601800      -1.758400       3.748300    
 H   -5.041800     -0.4060000      -2.727300    
 H   -5.968100     -4.8500001E-02  -1.261600    
 H   -3.350000       1.328600      -2.194100    
 H   -2.660800       1.387100     -0.5712000    
 H    4.894000      -1.620800      0.8951000    
 H    3.241700       3.617200      -1.423200    
 H    3.036100      -3.121300      -2.693400    
 H   2.8999999E-02   4.309500       1.366600    
 H   -4.858700      -2.762300      -2.028800    
 H   -5.492400      -2.373300     -0.4096000    
 H   -6.527000      -2.248600      -1.834800    
 H   -5.528100       2.034300      -1.296900    
 H   -4.988100       1.732100      0.3759000    
 H   -4.290400       3.045100     -0.5739000    
 H    6.205400      -2.845200     -0.7981000    
 H    5.172600      -4.292800     -0.7374000    
 H    5.453800      -3.441400      -2.274600    
 H    2.756400       5.751300      0.8346000    
 H    2.470200       5.903600     -0.9149000    
 H    1.147400       6.188100      0.2121000    


%chk=000053272-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053272

0 1
Br -0.168180 -1.842124 5.035945
O -0.145295 -0.035140 -2.611437
N -1.552140 -0.750727 -0.852689
N -3.871951 -0.083057 -1.221983
C 0.692185 -0.145037 -0.216513
C -0.106569 -0.718849 0.958163
C -0.336270 -0.294503 -1.396106
C -1.425302 -1.024074 0.534042
C 1.982302 -0.953694 -0.459269
C 0.964334 1.376292 -0.085677
C -2.762170 -0.959544 -1.655397
C 0.282251 -0.960193 2.283920
C -2.389825 -1.541129 1.417252
C 3.150885 -0.646894 0.283218
C 1.729327 2.020824 -1.093824
C 2.021675 -2.056425 -1.345828
C 0.434923 2.161914 0.964348
C -0.683564 -1.493487 3.169030
C -2.002920 -1.779244 2.759197
C -5.192849 -0.574863 -1.703542
C -3.618140 1.352307 -1.542001
C 4.319290 -1.423105 0.145756
C 1.966055 3.407065 -1.039696
C 3.195633 -2.829526 -1.482134
C 0.678014 3.554802 1.013273
C 4.363173 -2.534664 -0.735273
C 1.448012 4.202730 0.017859
C -5.727345 -1.780389 -0.905141
C -4.406974 2.311800 -0.633062
C 5.614653 -3.386208 -0.860920
C 1.718277 5.696432 0.073660
H -3.089155 -2.010513 -1.552332
H -2.449721 -0.789026 -2.711636
H 1.300881 -0.750700 2.621651
H -3.414486 -1.729947 1.089903
H 3.153186 0.220926 0.953061
H 2.124233 1.428365 -1.925553
H 1.145241 -2.304668 -1.953676
H -0.165549 1.695786 1.752289
H -2.726631 -2.180908 3.474074
H -5.163634 -0.825385 -2.794007
H -5.909131 0.258376 -1.597208
H -3.837705 1.570575 -2.616332
H -2.539052 1.539648 -1.398705
H 5.212123 -1.160831 0.726823
H 2.559328 3.882958 -1.830444
H 3.205672 -3.672846 -2.183576
H 0.261173 4.143078 1.839821
H -5.072306 -2.666927 -0.989696
H -5.819094 -1.518298 0.163680
H -6.725479 -2.074022 -1.279361
H -5.500153 2.203592 -0.756164
H -4.160758 2.118937 0.425455
H -4.147225 3.359816 -0.870666
H 6.530991 -2.774919 -0.777473
H 5.657310 -4.150207 -0.060240
H 5.646401 -3.919597 -1.827009
H 2.795183 5.904195 0.221912
H 1.419203 6.195014 -0.867202
H 1.167859 6.176340 0.901139


