%chk=000194634.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194634

0 1
Br -5.224051 -0.301675 -0.006305
O -2.490403 -1.603540 -0.018576
O 2.226844 -2.360448 0.011328
O 3.678883 -0.764159 0.012068
N 2.517845 -1.178640 0.008805
N 2.944481 1.741861 0.002316
C -0.969619 0.195020 -0.008890
C 1.444702 -0.198535 0.001670
C 0.115368 -0.676225 -0.002469
C 1.686137 1.212000 -0.001344
C -0.726743 1.593426 -0.012027
C 0.553622 2.093171 -0.008453
C -2.331563 -0.405793 -0.012795
C -3.489220 0.575446 -0.008575
H -0.057912 -1.768623 -0.000518
H -1.569415 2.290320 -0.017652
H 0.722163 3.168640 -0.011073
H -3.455240 1.220636 0.889818
H -3.459068 1.223559 -0.904992
H 3.775762 1.140058 0.007233
H 3.096826 2.736801 0.000031


%chk=000194634-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194634

0 1
Br -5.316402 -0.300767 -0.010521
O -2.521042 -1.659374 -0.009275
O 2.238679 -2.427211 0.008540
O 3.770509 -0.745410 0.008396
N 2.530847 -1.173856 0.006439
N 2.979922 1.758731 0.001465
C -0.980268 0.192077 -0.006161
C 1.446394 -0.186474 0.001279
C 0.126736 -0.680701 -0.001466
C 1.715801 1.233850 -0.000956
C -0.727906 1.601478 -0.008290
C 0.572719 2.102625 -0.005886
C -2.352690 -0.411870 -0.008941
C -3.525196 0.582980 -0.012080
H -0.042427 -1.761867 0.000051
H -1.558890 2.314632 -0.012003
H 0.744125 3.185038 -0.007744
H -3.500201 1.223512 0.885649
H -3.499412 1.218005 -0.913772
H 3.769201 1.100696 0.005044
H 3.118900 2.767208 -0.000168


