%chk=000288920.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288920

0 1
Br 0.447496 -0.675741 2.583224
Br 0.707717 -0.179138 -2.046163
O -0.791906 -2.496104 -0.102004
O -6.824296 1.143869 -1.401536
O -6.980331 0.891814 0.742477
N 4.507123 2.189884 0.572612
N -6.381519 0.809402 -0.316118
C 1.203618 -0.616294 0.745088
C 2.349532 0.352995 0.693800
C 0.063088 -0.251664 -0.193303
C 3.631052 -0.087903 0.214502
C 4.686539 0.869842 0.171419
C -1.038766 -1.321770 -0.164939
C 2.192567 1.662486 1.089417
C -2.428527 -0.758128 -0.213331
C 3.904993 -1.421023 -0.224016
C 5.985973 0.483807 -0.298703
C 3.308267 2.557258 1.010409
C 5.154527 -1.768039 -0.670704
C -2.977416 -0.357801 -1.437641
C -3.158507 -0.654278 0.977833
C 6.207335 -0.805055 -0.707926
C -4.275764 0.154721 -1.475534
C -4.456275 -0.140808 0.948121
C -5.001257 0.260620 -0.280224
H 1.544541 -1.672896 0.550020
H -0.342223 0.765593 0.030159
H 1.247201 2.038832 1.476644
H 3.098245 -2.158158 -0.198004
H 6.772019 1.241777 -0.316434
H 3.188051 3.603045 1.324310
H 5.364826 -2.784051 -1.004962
H -2.398980 -0.448913 -2.360744
H -2.718337 -0.978253 1.924862
H 7.188335 -1.116297 -1.068002
H -4.729787 0.471953 -2.421930
H -5.049252 -0.051083 1.866119


%chk=000288920-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288920

0 1
Br 0.869022 -0.382618 2.329849
Br 0.154844 0.303291 -2.372213
O -0.803030 -2.208926 -0.132507
O -7.091094 1.629673 -0.133958
O -7.579218 -0.541884 0.369279
N 4.849073 2.123093 -0.367933
N -6.750774 0.404710 0.085043
C 1.285735 -0.348570 0.275736
C 2.509928 0.495319 0.062261
C -0.042369 0.089816 -0.329592
C 3.826739 -0.101139 0.137867
C 4.970040 0.764856 -0.096120
C -1.136813 -0.993611 -0.192153
C 2.421319 1.869646 -0.199578
C -2.578513 -0.578848 -0.140523
C 4.070880 -1.481468 0.437198
C 6.294083 0.222687 -0.045358
C 3.605731 2.637672 -0.407822
C 5.374439 -1.982061 0.485728
C -3.013661 0.753083 -0.378329
C -3.536966 -1.585003 0.163583
C 6.495451 -1.128536 0.238481
C -4.380479 1.080243 -0.309490
C -4.904542 -1.273426 0.242026
C -5.303665 0.060560 0.004811
H 1.438502 -1.415974 0.062244
H -0.361353 1.082061 0.017028
H 1.453363 2.375546 -0.261377
H 3.237644 -2.158441 0.650589
H 7.124333 0.909982 -0.232976
H 3.531752 3.710753 -0.618926
H 5.541193 -3.039054 0.719428
H -2.300654 1.538840 -0.643844
H -3.180716 -2.604984 0.336695
H 7.509838 -1.539288 0.278239
H -4.741947 2.094869 -0.493922
H -5.658212 -2.028365 0.479333


