%chk=000195965.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195965

0 1
Br -9.023851 -0.700532 -0.841746
S -3.203344 -0.875041 0.417849
O -2.997848 -2.131577 -0.275170
O -3.488086 -0.889074 1.839992
O 1.804158 -0.664022 0.389126
O -6.484890 1.942901 -0.553835
O 0.814770 0.878953 -0.981644
O 8.037110 -0.385689 0.469419
O 7.664448 1.213169 -0.939161
N 7.293784 0.325570 -0.187624
C -4.476375 0.029511 -0.401975
C -1.745956 0.113618 0.164752
C -5.819219 -0.209754 0.276049
C -0.512287 -0.765476 0.284908
C -6.806174 0.893293 -0.049993
C 0.704054 -0.038593 -0.218729
C -8.246138 0.627176 0.343138
C 3.131974 -0.330544 0.166499
C 4.012441 -1.138836 0.914839
C 3.579857 0.681076 -0.690438
C 5.843859 0.096324 -0.064265
C 5.377347 -0.919325 0.794592
C 4.952682 0.892340 -0.803348
H -4.281599 1.127339 -0.440622
H -4.550677 -0.248882 -1.477366
H -1.694519 0.947431 0.898621
H -1.747030 0.628173 -0.821600
H -5.705648 -0.260550 1.390263
H -6.231914 -1.203052 -0.013142
H -0.627454 -1.716204 -0.305306
H -0.351150 -1.106496 1.336967
H -8.341135 0.264417 1.382825
H -8.851592 1.554171 0.259722
H 3.613129 -1.915095 1.568156
H 2.875618 1.295423 -1.261052
H 6.098102 -1.524814 1.358116
H 5.344353 1.675569 -1.464718


%chk=000195965-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195965

0 1
Br -7.851152 1.094608 -1.630029
S -3.233985 -1.321995 0.730128
O -2.339619 -2.692978 0.616958
O -4.792627 -1.382126 1.265438
O 1.389005 -0.433368 1.340771
O -4.438006 1.724738 0.328478
O -0.322164 0.356698 -0.072792
O 7.269183 -0.076410 -1.058035
O 6.137381 0.967013 -2.742885
N 6.184086 0.366190 -1.600875
C -3.285715 -0.472789 -1.043281
C -2.281444 -0.124580 1.968797
C -4.728200 -0.066010 -1.304927
C -0.848758 -0.608185 2.133897
C -5.230559 0.947705 -0.271858
C 0.052701 -0.159350 1.000214
C -6.715228 0.986152 0.047117
C 2.521184 -0.188241 0.512385
C 3.729266 -0.660192 1.078905
C 2.495107 0.466245 -0.744310
C 4.911829 0.171932 -0.864958
C 4.938371 -0.481620 0.387926
C 3.710873 0.644318 -1.434050
H -2.574720 0.361408 -0.960233
H -2.907654 -1.270810 -1.700298
H -2.887253 -0.240972 2.880717
H -2.411398 0.873136 1.523938
H -5.405811 -0.934912 -1.337310
H -4.778927 0.413890 -2.304729
H -0.828321 -1.719483 2.157102
H -0.426459 -0.265359 3.095798
H -7.008709 0.048425 0.546670
H -6.965392 1.868794 0.651055
H 3.698431 -1.160420 2.050461
H 1.557302 0.821452 -1.170149
H 5.889593 -0.833907 0.793913
H 3.738590 1.143899 -2.405850


