%chk=000237403.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237403

0 1
Br 4.164494 3.689969 -0.162040
O 1.356774 2.784558 1.370402
N -0.538738 -1.446376 -0.317263
C 1.226174 0.662070 0.353334
C 1.762918 -0.636482 0.054678
C 2.164008 1.803849 0.698118
C 0.834175 -1.663416 -0.283043
C -0.130606 0.863405 0.318075
C -1.002783 -0.231195 -0.017566
C 3.155077 -0.957520 0.076260
C -2.471332 -0.020564 -0.047895
C 2.747441 2.407777 -0.583163
C 1.306466 -2.980535 -0.601219
C 3.584291 -2.224914 -0.230451
C 2.650514 -3.246876 -0.574826
C -3.239091 -0.556242 -1.093967
C -3.095479 0.712372 0.974770
C -4.620272 -0.345079 -1.122767
C -4.476869 0.915755 0.940787
C -5.239770 0.391403 -0.108400
H 2.958572 1.468660 1.408777
H -0.555195 1.845762 0.545544
H 3.875215 -0.185628 0.346006
H 3.177228 1.638188 -1.249267
H 1.967433 2.950109 -1.152100
H 0.568090 -3.743538 -0.855738
H 4.645174 -2.472776 -0.213778
H 3.027435 -4.241556 -0.812929
H -2.754752 -1.143945 -1.875408
H -2.506732 1.113991 1.799215
H 1.904834 3.553660 1.642329
H -5.214187 -0.759528 -1.935803
H -4.960483 1.482414 1.734813
H -6.315923 0.554027 -0.132684


%chk=000237403-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000237403

0 1
Br 4.162532 3.838139 0.138040
O 1.412314 2.743695 1.638719
N -0.543719 -1.390824 -0.442422
C 1.258878 0.637159 0.455684
C 1.785135 -0.637115 0.027820
C 2.193166 1.766845 0.882482
C 0.819922 -1.622225 -0.423843
C -0.118800 0.843863 0.435557
C -1.011475 -0.192618 -0.013143
C 3.175663 -0.984789 0.024079
C -2.490270 0.008592 -0.042156
C 2.800230 2.407538 -0.382258
C 1.281750 -2.903009 -0.870775
C 3.596520 -2.244013 -0.413978
C 2.643852 -3.209226 -0.868876
C -3.312784 -0.953280 -0.692196
C -3.113194 1.133756 0.564946
C -4.711174 -0.791030 -0.741599
C -4.514613 1.293979 0.517594
C -5.320760 0.335232 -0.137847
H 3.012588 1.365281 1.514196
H -0.496790 1.810228 0.771839
H 3.924159 -0.267190 0.379812
H 3.360790 1.695030 -1.003677
H 2.036463 2.940148 -0.968207
H 0.526382 -3.620741 -1.204738
H 4.662174 -2.497449 -0.405072
H 2.988622 -4.191208 -1.210424
H -2.824102 -1.819602 -1.147429
H -2.516309 1.884439 1.092941
H 2.000790 3.515748 1.847772
H -5.328133 -1.540529 -1.249972
H -4.977195 2.164825 0.995315
H -6.408510 0.462151 -0.175382


