%chk=000262313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262313

0 1
Br -0.644027 -2.559877 -0.080081
Br -0.242304 3.024027 -1.186793
Br 8.660158 -0.120845 0.817644
O -1.524967 0.278031 -0.975180
O -3.646417 -0.012688 -0.627196
O -2.216691 -0.033229 1.217075
C 2.571954 0.109480 -0.164962
C 4.031386 0.054477 0.070312
C 1.966944 1.327112 -0.518343
C 1.798819 -1.056707 -0.030001
C -0.174633 0.213326 -0.611082
C 4.922086 0.411620 -0.954485
C 4.525982 -0.354773 1.318951
C 0.423386 -1.005439 -0.253936
C 0.588532 1.383928 -0.732789
C 6.301164 0.358617 -0.735572
C 5.903916 -0.406130 1.545233
C 6.775560 -0.049331 0.513474
C -4.863712 -0.163602 0.080045
C -2.452561 0.052017 0.045298
C -4.990149 -0.394596 1.447292
C -5.958047 -0.070592 -0.793690
C -6.285147 -0.539800 1.960800
C -7.233726 -0.221528 -0.251679
C -7.398784 -0.455082 1.121174
H 2.577060 2.230496 -0.611757
H 2.279729 -2.000295 0.244007
H 4.539482 0.724632 -1.926625
H 3.834936 -0.626416 2.118069
H 6.992297 0.633374 -1.534457
H 6.286615 -0.721210 2.517727
H -4.118626 -0.458841 2.104321
H -5.797850 0.112074 -1.855020
H -6.417761 -0.720756 3.028040
H -8.106680 -0.156012 -0.901565
H -8.400024 -0.570062 1.532653


%chk=000262313-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000262313

0 1
Br -0.317639 -3.116563 -0.298228
Br -0.504431 2.621534 -1.193166
Br 8.805020 0.316353 0.925067
O -1.539455 -0.335358 -1.045117
O -3.699422 -0.295167 -0.609620
O -2.193709 0.064076 1.186405
C 2.630804 -0.061676 -0.188954
C 4.094611 0.027869 0.075485
C 1.879754 1.100922 -0.509241
C 1.958371 -1.311653 -0.128154
C -0.172891 -0.232629 -0.695702
C 4.901043 0.986519 -0.596120
C 4.723808 -0.842746 1.006182
C 0.577093 -1.388389 -0.377459
C 0.500073 1.009326 -0.761853
C 6.287344 1.078236 -0.352275
C 6.108804 -0.764936 1.262312
C 6.878524 0.198122 0.577583
C -4.952340 -0.184078 0.088149
C -2.476063 -0.159876 -0.001747
C -5.098011 0.084251 1.466537
C -6.062764 -0.371893 -0.761111
C -6.410550 0.162661 1.989372
C -7.361213 -0.289338 -0.217158
C -7.539833 -0.021440 1.161081
H 2.363671 2.080851 -0.529046
H 2.516047 -2.228531 0.079752
H 4.454462 1.650709 -1.344043
H 4.126175 -1.569925 1.566304
H 6.894912 1.814941 -0.885083
H 6.574985 -1.435325 1.989676
H -4.227629 0.226351 2.108545
H -5.893039 -0.576910 -1.821941
H -6.541493 0.370267 3.056859
H -8.228853 -0.433899 -0.869315
H -8.548269 0.042746 1.582927


