%chk=000279992.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279992

0 1
Br 0.807153 -4.313993 -0.297349
Br -0.536810 3.534105 -0.793939
N 1.280181 -0.140709 0.037599
N -1.602929 -0.663084 -0.497497
C 0.690351 -1.484170 0.285565
C 0.462422 0.824015 -0.753365
C -0.822352 -1.360593 0.573928
C -0.743431 0.122017 -1.419812
C 0.988074 -2.450011 -0.876210
C 0.023259 1.940485 0.208150
C 2.690304 0.028253 0.106307
C -2.833933 -0.072103 -0.053906
C 3.499815 -0.964555 0.706685
C 3.294773 1.218919 -0.357985
C -3.593461 -0.727055 0.942156
C -3.367571 1.079275 -0.671625
C 4.871521 -0.756856 0.839789
C 4.669652 1.402827 -0.214639
C -4.847248 -0.231860 1.301310
C -4.622239 1.558865 -0.299556
C 5.467372 0.421982 0.380988
C -5.368508 0.912115 0.690288
H 1.174986 -1.882804 1.227543
H 1.094945 1.265918 -1.577165
H -1.256745 -2.386592 0.667707
H -0.949201 -0.858743 1.561822
H -1.347713 0.876800 -1.980561
H -0.374306 -0.597969 -2.191843
H 2.020066 -2.331465 -1.254201
H 0.293804 -2.304840 -1.725480
H 0.847618 2.251976 0.877010
H -0.826162 1.637119 0.845585
H 3.066207 -1.889162 1.082199
H 2.704603 2.003770 -0.825901
H -3.229255 -1.632954 1.418398
H -2.804241 1.601748 -1.446411
H 5.485738 -1.527333 1.307395
H 5.124783 2.326555 -0.574003
H -5.426194 -0.747403 2.067709
H -5.020778 2.450075 -0.784589
H 6.537442 0.573798 0.487502
H -6.343990 1.292741 0.978905


%chk=000279992-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279992

0 1
Br 0.130458 -4.073052 0.054475
Br 0.147457 4.076921 -0.052519
N 1.402981 -0.000634 -0.004087
N -1.505803 0.007279 0.011881
C 0.644043 -1.180972 0.463893
C 0.644554 1.182773 -0.465412
C -0.743873 -0.773204 0.998637
C -0.750865 0.781398 -0.984917
C 0.551966 -2.220785 -0.681819
C 0.568825 2.223470 0.680624
C 2.821028 -0.004531 -0.013200
C -2.914990 0.005252 0.014801
C 3.558531 -1.173645 0.348836
C 3.559958 1.160781 -0.384405
C -3.647901 -0.512017 1.127030
C -3.654699 0.522704 -1.092746
C 4.968158 -1.167464 0.341100
C 4.969538 1.147376 -0.393948
C -5.057304 -0.513591 1.120891
C -5.064174 0.521976 -1.078788
C 5.691076 -0.011850 -0.030782
C -5.782350 0.003384 0.022827
H 1.184636 -1.639716 1.313615
H 1.178319 1.638799 -1.320922
H -1.289706 -1.704937 1.234992
H -0.607545 -0.220295 1.954986
H -1.294323 1.715422 -1.217675
H -0.628089 0.226166 -1.941937
H 1.511626 -2.339470 -1.204523
H -0.263219 -2.004840 -1.387684
H 1.534211 2.338613 1.193430
H -0.239806 2.011089 1.395147
H 3.047299 -2.099388 0.629235
H 3.050027 2.089031 -0.658807
H -3.124292 -0.892008 2.009578
H -3.137163 0.905567 -1.977597
H 5.502100 -2.081956 0.623202
H 5.504641 2.059136 -0.682651
H -5.591820 -0.914117 1.990089
H -5.604005 0.922525 -1.944721
H 6.785478 -0.014591 -0.037399
H -6.876984 0.002506 0.025773


