%chk=000297717.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297717

0 1
Br 3.856406 0.485085 -1.721012
N 2.465586 0.861094 0.331907
C -1.683458 -0.269988 -0.118556
C -0.647301 -1.371855 0.188930
C -1.360001 1.000048 0.695099
C 1.093892 0.388085 0.727043
C 0.778217 -0.884425 -0.088430
C 0.063556 1.494412 0.412589
C -3.107205 -0.779441 0.181943
C -4.189260 0.136789 -0.403858
C -5.598391 -0.396982 -0.109425
C 3.574063 0.175700 1.057612
C -6.679398 0.512393 -0.689609
C 4.559972 -0.137018 -0.032075
C 5.735657 -0.735656 0.071854
H -1.613321 -0.019574 -1.205546
H -0.857051 -2.267713 -0.424854
H -0.740311 -1.695828 1.242101
H -1.484576 0.798373 1.775486
H -2.086621 1.797559 0.449772
H 1.037137 0.145680 1.819045
H 1.509760 -1.679299 0.142907
H 0.915029 -0.669766 -1.168173
H 0.154686 1.795761 -0.650684
H 0.271086 2.401081 1.008474
H -3.250087 -0.883603 1.273930
H -3.227521 -1.799822 -0.231792
H -4.083140 1.159642 0.006561
H -4.047300 0.236945 -1.497269
H 2.543967 1.878502 0.454647
H -5.742058 -0.497562 0.984090
H -5.708088 -1.418366 -0.523607
H 3.236915 -0.764674 1.548605
H 4.044567 0.800691 1.846049
H -6.588334 0.603698 -1.777997
H -6.624074 1.523583 -0.270924
H -7.681049 0.123108 -0.476013
H 6.392045 -0.929598 -0.766480
H 6.143101 -1.085458 1.010959


%chk=000297717-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297717

0 1
Br 5.044418 -0.246301 -1.930987
N 2.501591 0.484957 0.130715
C -1.779820 -0.378850 -0.157773
C -0.806878 -1.528048 0.211537
C -1.301661 0.940898 0.501957
C 1.124493 0.113665 0.535477
C 0.660167 -1.196099 -0.147418
C 0.168662 1.266552 0.153360
C -3.237694 -0.739990 0.223673
C -4.307589 0.255254 -0.281999
C -5.752353 -0.210113 0.011414
C 3.596523 -0.352788 0.639275
C -6.819968 0.786174 -0.490162
C 4.937254 0.001442 0.029722
C 6.025766 0.443637 0.699403
H -1.736940 -0.241349 -1.261870
H -1.113757 -2.458911 -0.305004
H -0.887400 -1.729896 1.301522
H -1.411760 0.847883 1.603795
H -1.945917 1.783730 0.187578
H 1.047899 -0.037985 1.646189
H 1.312352 -2.042653 0.144029
H 0.769908 -1.065039 -1.242058
H 0.268894 1.447983 -0.935861
H 0.481080 2.198896 0.668642
H -3.311349 -0.828836 1.329014
H -3.471185 -1.746369 -0.184294
H -4.152490 1.250767 0.181063
H -4.186076 0.397702 -1.376692
H 2.690170 1.486737 0.265846
H -5.871009 -0.362468 1.103915
H -5.918218 -1.200891 -0.459287
H 3.367576 -1.408327 0.400663
H 3.728056 -0.295250 1.750811
H -6.740787 0.934223 -1.583900
H -6.696028 1.775072 -0.009321
H -7.843380 0.429899 -0.270716
H 6.974787 0.666255 0.205699
H 5.969758 0.590037 1.785345


