%chk=000288846.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288846

0 1
Br 6.061436 -0.498271 -0.299591
O 0.016611 3.115717 0.330342
N -1.630933 0.576666 0.383830
C -2.564940 1.737850 0.314793
C -2.966605 2.035017 -1.145457
C -3.796825 1.433041 1.191210
C -3.887596 0.963066 -1.737811
C -4.725360 0.376165 0.580631
C -5.122824 0.737943 -0.856316
C -0.283890 0.675160 0.228830
C 0.621545 -0.364949 0.097983
C 0.499731 2.018372 0.237787
C 1.976309 0.183919 0.027463
C 1.916958 1.614314 0.107136
C 0.319288 -1.790377 0.033614
C 3.208470 -0.452928 -0.089988
C 3.061681 2.391310 0.064641
C -0.455013 -2.399717 1.037036
C 0.794582 -2.566438 -1.039455
C 4.350584 0.356960 -0.132470
C 4.306953 1.748351 -0.060431
C -0.751416 -3.762842 0.962291
C 0.494352 -3.927870 -1.105572
C -0.280815 -4.529464 -0.107872
H -2.036156 2.642141 0.733051
H -2.060106 2.147198 -1.770955
H -3.472227 3.020962 -1.174990
H -4.357431 2.378655 1.336649
H -3.474928 1.116801 2.202558
H -3.333478 0.013176 -1.864108
H -4.201525 1.263727 -2.755994
H -5.632675 0.274366 1.207111
H -4.238568 -0.617623 0.597967
H -5.751096 1.649786 -0.852729
H -5.752448 -0.063544 -1.286479
H -2.058055 -0.345751 0.274536
H 3.272689 -1.540003 -0.137412
H 3.002555 3.479148 0.126956
H -0.799868 -1.812926 1.885930
H 1.392132 -2.098689 -1.820259
H 5.219674 2.341687 -0.097235
H -1.346500 -4.230741 1.744902
H 0.864826 -4.524295 -1.938123
H -0.512095 -5.590572 -0.163001


%chk=000288846-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000288846

0 1
Br 6.124328 -0.431081 -0.623958
O 0.017910 3.159188 0.379637
N -1.635523 0.595357 0.521550
C -2.605539 1.723908 0.514926
C -2.918259 2.212874 -0.929560
C -3.906003 1.271068 1.226006
C -3.702324 1.161004 -1.747566
C -4.713449 0.231260 0.406681
C -5.006554 0.745395 -1.024210
C -0.277475 0.674380 0.325809
C 0.626801 -0.384279 0.135109
C 0.489655 1.993800 0.255234
C 1.983500 0.192430 -0.057522
C 1.910755 1.618075 0.012555
C 0.294598 -1.819145 0.105239
C 3.236651 -0.422751 -0.239173
C 3.037703 2.435394 -0.107067
C -0.637031 -2.381236 1.030913
C 0.883441 -2.693805 -0.856774
C 4.373750 0.422074 -0.363839
C 4.309837 1.827949 -0.308922
C -0.969075 -3.752001 0.990426
C 0.547199 -4.062489 -0.897550
C -0.382401 -4.601362 0.023645
H -2.144003 2.557259 1.070462
H -1.974673 2.487670 -1.434693
H -3.516962 3.142979 -0.849402
H -4.535054 2.170805 1.371708
H -3.665348 0.878733 2.232939
H -3.067029 0.265155 -1.904508
H -3.933017 1.563011 -2.752372
H -5.658741 0.002080 0.934882
H -4.163111 -0.732212 0.342603
H -5.682338 1.623491 -0.961613
H -5.540554 -0.030072 -1.606300
H -2.041364 -0.344309 0.482045
H 3.350304 -1.508868 -0.261672
H 2.943163 3.524340 -0.043309
H -1.050574 -1.752379 1.829199
H 1.578267 -2.285996 -1.599069
H 5.213612 2.432794 -0.413050
H -1.674995 -4.160521 1.722659
H 1.007029 -4.709947 -1.652781
H -0.640103 -5.665521 -0.008320


