%chk=000233302.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233302

0 1
Br -6.143422 -0.066411 -0.843996
O 3.444392 1.535135 -1.466390
O -0.010733 2.707972 0.575954
O 4.827312 0.323211 -0.179363
O 0.524422 -2.050954 -0.384774
N 2.624441 -1.435475 0.245880
C 1.931962 0.759761 1.255858
C 2.378338 -0.000026 -0.009994
C 0.439736 0.561461 1.524810
C -0.408951 1.583791 0.790845
C 3.697644 0.590499 -0.513999
C -1.786898 1.153458 0.395087
C 1.629777 -2.391745 0.007757
C -2.841455 2.067603 0.547071
C -2.028831 -0.114365 -0.149218
C 2.035594 -3.810276 0.270605
C -4.141709 1.707844 0.184269
C -3.325494 -0.479923 -0.524600
C -4.364724 0.434657 -0.345956
H 2.139076 1.850164 1.132908
H 2.526592 0.435523 2.131910
H 1.587428 0.104912 -0.813675
H 0.228860 0.664767 2.611124
H 0.129669 -0.477708 1.271123
H 3.526666 -1.678609 0.654930
H -2.638771 3.065884 0.943192
H -1.203795 -0.826248 -0.296196
H 1.204698 -4.492454 0.019402
H 2.896625 -4.121628 -0.338367
H 2.288919 -3.989723 1.324324
H -4.961641 2.416157 0.308740
H -3.510112 -1.467020 -0.951827
H 4.271185 1.972566 -1.814837


%chk=000233302-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233302

0 1
Br -6.262994 -0.034613 -0.923840
O 3.564195 1.814352 -1.108347
O -0.092959 2.760580 0.716682
O 4.829257 -0.026386 -0.470067
O 0.432690 -2.114768 -0.302175
N 2.603910 -1.443506 0.195772
C 1.955379 0.782548 1.242397
C 2.395543 -0.004578 -0.036615
C 0.465081 0.562539 1.589527
C -0.463180 1.557526 0.872810
C 3.720731 0.553766 -0.553741
C -1.835795 1.126244 0.448907
C 1.634679 -2.407886 -0.006865
C -2.840539 2.126094 0.328770
C -2.154727 -0.221867 0.130187
C 2.116143 -3.846550 0.161477
C -4.149128 1.793131 -0.068284
C -3.460482 -0.564662 -0.285886
C -4.442351 0.443728 -0.368400
H 2.113929 1.863981 1.076637
H 2.602999 0.461628 2.078855
H 1.621659 0.122827 -0.816552
H 0.317107 0.761869 2.671861
H 0.159658 -0.479810 1.416948
H 3.577156 -1.723716 0.359492
H -2.574403 3.164419 0.552188
H -1.385097 -1.000597 0.144901
H 1.280990 -4.527844 -0.054903
H 2.951868 -4.072973 -0.525310
H 2.465742 -4.027947 1.194317
H -4.923641 2.561259 -0.145399
H -3.701347 -1.598538 -0.548454
H 4.444728 2.172551 -1.404295


