%chk=000259244.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259244

0 1
Br -1.677508 -3.401420 -0.257191
O 1.582085 2.710608 -0.693824
O -4.891285 0.041811 0.031443
O -3.277410 1.642141 0.289890
N -2.763189 -0.646022 -0.023737
C 1.750751 1.706398 0.296497
C 0.751136 0.556931 0.152324
C 3.093078 0.991020 0.198563
C 1.450253 -0.685190 0.038959
C 2.895696 -0.416778 0.067053
C -0.623757 0.621345 0.135392
C 0.751565 -1.875671 -0.083144
C 4.364621 1.529167 0.231050
C 3.980095 -1.275765 -0.020478
C -1.345082 -0.594277 0.006934
C -0.648634 -1.812583 -0.096622
C 5.465068 0.653018 0.136987
C 5.274628 -0.722112 0.016644
C -3.587772 0.483631 0.119365
C -5.923553 1.091028 0.162199
C -7.216523 0.321967 0.016028
H 1.622728 2.267309 1.250852
H -1.150293 1.582026 0.215334
H 1.268436 -2.832019 -0.166185
H 4.517722 2.603504 0.322989
H 3.843219 -2.349711 -0.116096
H 6.473982 1.062407 0.160476
H 6.136933 -1.384975 -0.051175
H 1.685216 2.331874 -1.595670
H -3.239887 -1.551796 -0.157278
H -5.793578 1.562962 1.151448
H -5.750155 1.830370 -0.638835
H -8.084493 0.988571 0.094996
H -7.272847 -0.192422 -0.953889
H -7.314648 -0.453349 0.789200


%chk=000259244-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259244

0 1
Br -1.651595 -3.501277 -0.244237
O 1.609037 2.810954 -0.645738
O -4.943071 0.006815 0.029944
O -3.330750 1.707708 0.258804
N -2.769390 -0.588749 0.002155
C 1.798244 1.704619 0.310727
C 0.795242 0.555149 0.172236
C 3.143724 0.981794 0.197087
C 1.487060 -0.685069 0.060432
C 2.942484 -0.425720 0.075094
C -0.600375 0.627862 0.158681
C 0.757759 -1.884993 -0.059215
C 4.436140 1.528089 0.209292
C 4.045873 -1.298939 -0.024241
C -1.358275 -0.575997 0.030482
C -0.647843 -1.810391 -0.071865
C 5.546824 0.651475 0.100605
C 5.350142 -0.747435 -0.010119
C -3.629747 0.496630 0.111152
C -6.013971 1.040645 0.138237
C -7.343922 0.309017 -0.007680
H 1.692945 2.211862 1.287478
H -1.130149 1.579900 0.237969
H 1.254799 -2.855255 -0.142699
H 4.581788 2.610438 0.293251
H 3.906794 -2.382282 -0.112691
H 6.564545 1.056901 0.104105
H 6.219251 -1.410196 -0.088159
H 1.681919 2.444404 -1.564710
H -3.225259 -1.500682 -0.104742
H -5.913582 1.544619 1.116560
H -5.854757 1.792636 -0.655586
H -8.175590 1.033044 0.066865
H -7.410775 -0.197214 -0.985642
H -7.468924 -0.446363 0.786667


