%chk=000187939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187939

0 1
Br -4.743079 0.905437 2.131790
S 0.365344 -2.579814 -1.003165
S 0.237431 2.597357 0.722082
N 2.117890 -0.638458 -0.296063
N 2.064775 0.629840 0.359464
N -0.037082 0.010131 -0.167959
C 3.295147 -1.500349 0.010288
C 3.291766 1.473025 0.285790
C 4.575865 -0.667696 -0.145163
C 4.505835 0.620878 0.682803
C 0.801631 -1.100929 -0.465078
C 0.746998 1.111324 0.280910
C -1.478138 0.016545 -0.296997
C -2.260293 0.396575 0.806285
C -2.059665 -0.358882 -1.518370
C -3.646831 0.393132 0.652169
C -3.452289 -0.356102 -1.630199
C -4.255934 0.021367 -0.548872
H 3.275683 -2.354047 -0.711283
H 3.214720 -1.927480 1.036398
H 3.147416 2.327984 0.991655
H 3.416143 1.899881 -0.735971
H 4.741573 -0.423495 -1.214976
H 5.447235 -1.277788 0.165528
H 4.459268 0.375729 1.764222
H 5.430018 1.216864 0.546218
H -1.796408 0.693302 1.750997
H -1.439544 -0.656821 -2.365998
H -3.917300 -0.651099 -2.571998
H -5.342374 0.022791 -0.648608


%chk=000187939-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187939

0 1
Br -4.737076 0.986328 2.172033
S 0.372929 -2.693278 -0.931495
S 0.249527 2.702807 0.639277
N 2.104760 -0.662568 -0.248765
N 2.058571 0.652349 0.301131
N -0.012452 0.006475 -0.176374
C 3.297887 -1.502329 -0.037415
C 3.280585 1.475582 0.331613
C 4.574698 -0.649514 -0.174841
C 4.490845 0.606328 0.725450
C 0.813317 -1.115352 -0.472672
C 0.753824 1.119708 0.273643
C -1.445496 0.011594 -0.306732
C -2.233181 0.417853 0.795255
C -2.042966 -0.390209 -1.521575
C -3.632410 0.418420 0.651004
C -3.449373 -0.386590 -1.630966
C -4.260592 0.020743 -0.546822
H 3.243311 -2.311810 -0.783687
H 3.241349 -1.965906 0.968956
H 3.088249 2.289472 1.049739
H 3.435106 1.934478 -0.666651
H 4.710159 -0.346822 -1.230881
H 5.442760 -1.271958 0.105263
H 4.404051 0.303768 1.786601
H 5.406437 1.215976 0.628614
H -1.759289 0.732070 1.727372
H -1.417202 -0.707994 -2.358992
H -3.922006 -0.699253 -2.567387
H -5.350521 0.028835 -0.634798


