%chk=000118505.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118505

0 1
Br 1.881453 -4.222468 -0.062774
O 1.698398 1.843542 -0.385955
O -3.808029 -0.045605 0.339436
O 3.101017 0.607637 0.931930
N -1.665583 0.706471 0.118520
C -1.007704 -0.561490 0.094267
C 0.401194 -0.339627 -0.051360
C 0.568104 1.101149 -0.124388
C -0.657883 1.718938 -0.012352
C -1.546717 -1.854635 0.186738
C 1.277193 -1.432275 -0.088082
C -3.079233 0.916128 0.245207
C -0.664555 -2.924892 0.134046
C 0.723572 -2.702844 -0.000932
C -3.534955 2.339564 0.250607
C 2.940958 1.536892 0.192017
C 3.898838 2.556781 -0.308701
H -0.893523 2.766318 -0.029460
H -2.624947 -1.998411 0.297130
H 2.355862 -1.270682 -0.161697
H -1.047423 -3.946056 0.200788
H -4.633685 2.383682 0.355513
H -3.281616 2.866456 -0.681498
H -3.110978 2.913975 1.087964
H 3.434486 3.271752 -1.009239
H 4.741611 2.076145 -0.833193
H 4.323945 3.136456 0.527468


%chk=000118505-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118505

0 1
Br 1.942826 -4.259243 -0.168620
O 1.694022 1.848771 -0.507408
O -3.868535 -0.057758 0.436310
O 2.961031 0.890214 1.225084
N -1.687213 0.698711 0.117985
C -1.032012 -0.570117 0.090811
C 0.369510 -0.336076 -0.103934
C 0.533339 1.107838 -0.193543
C -0.703026 1.706283 -0.059829
C -1.557755 -1.872850 0.211881
C 1.269936 -1.424732 -0.181329
C -3.081879 0.914286 0.288839
C -0.654931 -2.954662 0.128375
C 0.729987 -2.716080 -0.066210
C -3.545725 2.362761 0.280691
C 2.887866 1.664914 0.255896
C 3.986663 2.539539 -0.299956
H -0.952993 2.761940 -0.090884
H -2.625353 -2.036245 0.361609
H 2.342909 -1.266784 -0.303195
H -1.025215 -3.979787 0.216000
H -4.634913 2.368777 0.428175
H -3.311989 2.857232 -0.679617
H -3.071251 2.945090 1.091195
H 3.643328 3.112874 -1.171970
H 4.847006 1.908466 -0.582914
H 4.334168 3.229539 0.488557


