%chk=000181187.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181187

0 1
Br -6.082917 -0.006859 0.002579
S 0.381788 -2.632452 -0.724836
S 0.376733 2.631690 0.725310
N 2.175992 -0.649358 -0.294413
N 2.174862 0.652428 0.293368
N 0.037522 -0.000720 0.000353
C 3.385344 -1.489241 -0.061290
C 3.382257 1.494874 0.059308
C 4.637093 -0.660527 -0.383545
C 4.636030 0.668792 0.380443
C 0.853648 -1.124015 -0.314104
C 0.851551 1.124325 0.314076
C -1.409181 -0.002206 0.000882
C -2.094897 0.453793 1.138548
C -2.094813 -0.459576 -1.136289
C -3.491842 0.454712 1.132227
C -3.491751 -0.463282 -1.128954
C -4.172724 -0.004966 0.001885
H 3.303373 -2.379204 -0.733009
H 3.409014 -1.863165 0.988170
H 3.298968 2.384601 0.731178
H 3.404255 1.868939 -0.990138
H 4.695635 -0.471344 -1.475568
H 5.540230 -1.250091 -0.129137
H 4.695940 0.479729 1.472412
H 5.537698 1.260256 0.125231
H -1.552080 0.811511 2.016121
H -1.551936 -0.816192 -2.014274
H -4.037033 0.812881 2.007941
H -4.036859 -0.822532 -2.004277


%chk=000181187-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181187

0 1
Br -6.138114 -0.007476 0.004520
S 0.395630 -2.738094 -0.640711
S 0.390132 2.737977 0.638684
N 2.169108 -0.669423 -0.241378
N 2.167764 0.673019 0.238300
N 0.063900 -0.000392 -0.001086
C 3.384257 -1.493862 -0.114401
C 3.381522 1.499624 0.112261
C 4.632589 -0.643876 -0.423217
C 4.631123 0.651870 0.422032
C 0.865526 -1.135014 -0.314667
C 0.863316 1.136210 0.310921
C -1.375223 -0.002108 0.000246
C -2.075227 0.489949 1.124444
C -2.076123 -0.495721 -1.122707
C -3.486267 0.493064 1.127584
C -3.487157 -0.502006 -1.123316
C -4.174822 -0.005250 0.002751
H 3.259627 -2.338745 -0.811403
H 3.436599 -1.908471 0.913370
H 3.254865 2.344299 0.809147
H 3.433867 1.914300 -0.915483
H 4.655706 -0.390531 -1.500471
H 5.530264 -1.249122 -0.205907
H 4.653858 0.398568 1.499303
H 5.527904 1.258682 0.205401
H -1.526593 0.877223 1.986468
H -1.528168 -0.881733 -1.985728
H -4.033194 0.875110 1.993526
H -4.034773 -0.885270 -1.988283


