%chk=000180376.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180376

0 1
Br -1.191097 2.398367 -0.914609
O 2.578888 -0.183795 0.066473
O -3.559934 1.048253 0.717126
O 1.504665 1.801736 0.500117
O -3.849690 -0.013535 -1.257949
N 0.457102 -0.249604 0.833143
C -0.949001 0.209169 0.947149
C 0.511715 -1.743753 0.777195
C -1.636035 -0.956108 1.710934
C -0.658613 -2.148522 1.703723
C -1.573283 0.490737 -0.454826
C 0.353323 -2.277480 -0.658249
C -1.036399 -0.355542 -1.616872
C -0.955369 -1.862236 -1.340724
C 1.503776 0.588508 0.447031
C -3.100837 0.448929 -0.432960
C 3.892210 0.463701 -0.230398
C 4.365505 1.191214 1.018952
C 4.728226 -0.773753 -0.552224
C 3.709767 1.384659 -1.427516
C -5.001016 1.191539 0.847123
H -0.984497 1.149869 1.561314
H 1.500791 -2.071697 1.185637
H -2.607025 -1.237118 1.272426
H -1.856851 -0.636312 2.745686
H -0.287387 -2.351664 2.723654
H -1.149923 -3.073149 1.360942
H 0.429305 -3.381518 -0.643529
H 1.219792 -1.924881 -1.258565
H -0.027769 0.009247 -1.912807
H -1.682169 -0.185739 -2.509146
H -1.040424 -2.401260 -2.307323
H -1.829396 -2.193574 -0.748086
H 4.357201 0.536732 1.897722
H 5.380298 1.582741 0.899263
H 3.708371 2.046480 1.251944
H 4.297822 -1.338729 -1.388110
H 4.773890 -1.457763 0.304074
H 5.752946 -0.497947 -0.821347
H 3.028987 2.219057 -1.183373
H 4.659336 1.822187 -1.750192
H 3.271219 0.859322 -2.282684
H -5.112057 1.530804 1.882540
H -5.495003 0.231296 0.669297
H -5.345360 1.946034 0.132221


%chk=000180376-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180376

0 1
Br -1.436745 2.239635 -1.505322
O 2.711770 -0.177789 0.019527
O -3.516108 1.199448 0.780881
O 1.479867 1.792597 0.489615
O -4.198284 -0.115662 -1.012592
N 0.445353 -0.303194 0.290205
C -0.907833 0.191740 0.609266
C 0.509272 -1.787810 0.415665
C -1.485558 -0.901387 1.587583
C -0.430854 -2.047241 1.626557
C -1.782435 0.351024 -0.680466
C 0.064583 -2.505652 -0.880748
C -1.486676 -0.646688 -1.819577
C -1.347584 -2.138346 -1.400191
C 1.539478 0.549973 0.286383
C -3.283587 0.434228 -0.357181
C 4.052561 0.542897 -0.042807
C 4.362929 1.177795 1.327719
C 5.015824 -0.615108 -0.358696
C 4.024978 1.579481 -1.183953
C -4.940954 1.410970 1.133158
H -0.832852 1.172765 1.102414
H 1.550736 -2.070251 0.634888
H -2.466715 -1.276574 1.251255
H -1.641645 -0.454444 2.582520
H 0.152477 -1.996838 2.562869
H -0.898959 -3.046048 1.575002
H 0.117634 -3.598256 -0.699143
H 0.804132 -2.275826 -1.672975
H -0.544298 -0.337979 -2.304875
H -2.294846 -0.543090 -2.563526
H -1.546426 -2.747475 -2.302670
H -2.131401 -2.423071 -0.673059
H 4.315918 0.415225 2.125906
H 5.384656 1.599916 1.314990
H 3.648301 1.983486 1.556602
H 4.742839 -1.096713 -1.313521
H 4.984223 -1.376552 0.439953
H 6.049121 -0.232951 -0.439808
H 3.310181 2.387694 -0.964698
H 5.032658 2.017250 -1.307966
H 3.739181 1.096396 -2.135453
H -4.914407 2.021335 2.046121
H -5.440640 0.443658 1.310228
H -5.453866 1.942335 0.314119


