%chk=000299017.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299017

0 1
Br 5.492774 -0.310751 -1.532436
O -2.647802 -2.306352 0.637572
C -0.643106 -0.126567 1.291476
C 0.497587 -0.615492 0.433015
C 1.763127 0.067709 0.421625
C -1.682131 0.567083 0.448686
C 2.803661 -0.421751 -0.420112
C 0.308105 -1.733190 -0.350180
C -2.954389 0.015592 0.218968
C 2.009016 1.221099 1.233900
C 2.567667 -1.581446 -1.220796
C -1.364508 1.816388 -0.116990
C 1.351925 -2.218522 -1.181347
C 4.049731 0.285061 -0.417482
C -3.886678 0.712415 -0.568641
C 3.218812 1.864925 1.206246
C 4.264142 1.392576 0.361934
C -2.293276 2.498168 -0.899800
C -3.342745 -1.321415 0.769503
C -3.561060 1.946284 -1.127699
C -4.651052 -1.376827 1.505887
H -1.071532 -0.993824 1.844371
H -0.285468 0.563068 2.088536
H -0.655886 -2.258797 -0.338919
H 1.208140 1.575390 1.887298
H 3.360059 -1.962551 -1.866153
H -0.373293 2.241537 0.044086
H 1.167243 -3.105664 -1.787477
H -4.870502 0.280369 -0.752815
H 3.405478 2.741555 1.824989
H 5.216285 1.925054 0.357559
H -2.033109 3.461093 -1.339678
H -4.284802 2.478051 -1.742137
H -5.494149 -1.483665 0.809131
H -4.835320 -0.478054 2.107418
H -4.689245 -2.248252 2.177164


%chk=000299017-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299017

0 1
Br 5.580575 -0.368058 -1.691899
O -2.635050 -2.235565 1.101251
C -0.586707 -0.130943 1.380473
C 0.579718 -0.631149 0.519337
C 1.832954 0.086382 0.411275
C -1.677220 0.570428 0.557233
C 2.879713 -0.450808 -0.455897
C 0.405208 -1.826372 -0.192599
C -3.005701 0.057156 0.372841
C 2.096354 1.301634 1.131744
C 2.643666 -1.666841 -1.172581
C -1.362206 1.830426 -0.016495
C 1.430481 -2.341490 -1.036931
C 4.113933 0.283053 -0.540124
C -3.956229 0.836199 -0.351783
C 3.315331 1.968428 1.016178
C 4.344465 1.460308 0.166331
C -2.304796 2.574928 -0.753849
C -3.450661 -1.287804 0.883601
C -3.616926 2.076034 -0.921555
C -4.943055 -1.526681 1.119707
H -1.015533 -0.994116 1.908583
H -0.229624 0.578404 2.147353
H -0.541161 -2.365941 -0.082271
H 1.333601 1.712501 1.799689
H 3.429998 -2.061742 -1.822196
H -0.349951 2.228886 0.112685
H 1.261405 -3.277122 -1.580804
H -4.972163 0.452826 -0.489289
H 3.498784 2.889594 1.579035
H 5.297908 1.987799 0.077438
H -2.019964 3.538762 -1.190157
H -4.360930 2.644813 -1.489127
H -5.468954 -1.680277 0.157670
H -5.425855 -0.678772 1.635379
H -5.057709 -2.444582 1.716457


