%chk=000186849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186849

0 1
Br -2.634488 -3.526590 1.223108
C 0.491176 0.019442 -0.068253
C 1.933426 0.105947 -0.016506
C -0.281760 1.189090 0.006374
C -0.143918 -1.270997 -0.203526
C -1.719534 1.096366 -0.030444
C -1.527287 -1.358407 -0.283785
C -2.338584 -0.173167 -0.164277
C 2.735822 -1.074610 -0.080854
C 2.566661 1.369667 0.099412
C 0.388324 2.463491 0.123903
C 0.717611 -2.450324 -0.248915
C 2.063006 -2.362364 -0.191149
C 1.744387 2.554029 0.167532
C -2.543582 2.261768 0.071992
C -2.193977 -2.673236 -0.502226
C 4.125069 -0.973179 -0.032438
C 3.979324 1.442016 0.145796
C -3.769490 -0.240059 -0.167892
C 4.741772 0.286406 0.080105
C -3.912714 2.167682 0.055151
C -4.535126 0.894239 -0.061620
H 0.228126 -3.424950 -0.314832
H -0.230853 3.362200 0.177749
H 2.691128 -3.253355 -0.219404
H 2.242410 3.519253 0.255852
H -2.059350 3.235795 0.168090
H -3.146728 -2.585203 -1.058587
H -1.557631 -3.394104 -1.050367
H 4.743094 -1.868369 -0.080375
H 4.461297 2.414378 0.234246
H -4.251980 -1.216180 -0.241943
H 5.829317 0.345168 0.116293
H -4.536964 3.056154 0.134473
H -5.622687 0.836202 -0.060482


%chk=000186849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186849

0 1
Br -2.756187 -3.732941 1.116816
C 0.507257 0.022775 -0.072472
C 1.946452 0.107526 -0.017958
C -0.283370 1.219154 -0.011711
C -0.134563 -1.277116 -0.202917
C -1.733265 1.124133 -0.029942
C -1.551477 -1.365614 -0.304262
C -2.362717 -0.174534 -0.164708
C 2.754634 -1.085647 -0.059184
C 2.598870 1.389237 0.080597
C 0.398232 2.486053 0.081944
C 0.713096 -2.456214 -0.216128
C 2.088263 -2.366132 -0.145043
C 1.780878 2.571610 0.124148
C -2.570253 2.281544 0.084576
C -2.200412 -2.671537 -0.601612
C 4.167700 -0.980854 -0.003374
C 4.021882 1.455416 0.130367
C -3.797581 -0.244841 -0.139709
C 4.796699 0.282173 0.088711
C -3.963085 2.182228 0.086165
C -4.582956 0.902085 -0.017322
H 0.252452 -3.447405 -0.242917
H -0.182534 3.411007 0.119855
H 2.700101 -3.275717 -0.143508
H 2.270381 3.549860 0.194474
H -2.118834 3.272314 0.183771
H -3.154430 -2.584562 -1.134844
H -1.551030 -3.389457 -1.114926
H 4.771694 -1.895144 -0.031609
H 4.506908 2.435660 0.203188
H -4.294147 -1.218258 -0.177503
H 5.889154 0.345739 0.129205
H -4.577976 3.083688 0.179363
H -5.674540 0.817972 0.010671


