%chk=000295337.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295337

0 1
Br 4.601007 3.047668 -0.819359
S 0.818968 -2.095948 -0.150270
O 1.509392 -3.084444 0.653527
O 0.262169 -2.443745 -1.435867
N -0.426084 -1.545196 0.890324
C -1.453545 -0.626010 0.517959
C -2.020110 0.227154 1.503667
C 1.833244 -0.703256 -0.338769
C -3.437421 1.230736 -0.213376
C -3.005296 1.140529 1.120343
C -1.902157 -0.552315 -0.810209
C -2.879311 0.376339 -1.171985
C -1.583077 0.158865 2.931558
C 2.998927 -0.595314 0.426480
C 1.495025 0.297404 -1.253913
C -4.489269 2.223718 -0.588553
C 3.830174 0.520548 0.287586
C 2.316764 1.420386 -1.402191
C 3.473693 1.515894 -0.625943
H -0.519393 -1.953162 1.827712
H -3.446832 1.797492 1.868644
H -1.516025 -1.241527 -1.571179
H -3.213537 0.420997 -2.207320
H -1.883643 -0.790186 3.397914
H -0.491327 0.250913 3.024782
H -2.020625 0.961769 3.540495
H 3.270722 -1.389815 1.133659
H 0.588693 0.209862 -1.865024
H -4.212045 3.240714 -0.278163
H -4.674345 2.256555 -1.669923
H -5.448013 1.984513 -0.105766
H 4.740487 0.604004 0.883537
H 2.051092 2.202656 -2.115376


%chk=000295337-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295337

0 1
Br 4.141354 3.420442 -0.221315
S 0.789383 -2.287070 -0.313732
O 1.669991 -3.377535 0.512805
O 0.292945 -2.509947 -1.843068
N -0.863143 -2.080901 0.757186
C -1.650650 -0.939834 0.446394
C -1.760731 0.187373 1.329115
C 1.748566 -0.647952 -0.292901
C -3.353759 1.236864 -0.260070
C -2.628473 1.238344 0.961454
C -2.375530 -0.957598 -0.777360
C -3.203335 0.124202 -1.128843
C -0.983926 0.239176 2.632942
C 2.728120 -0.469856 0.698517
C 1.451800 0.314173 -1.272356
C -4.276840 2.388753 -0.611910
C 3.447091 0.746748 0.715838
C 2.167879 1.533148 -1.247554
C 3.149346 1.732453 -0.252064
H -0.494897 -2.104690 1.726677
H -2.735819 2.094514 1.640036
H -2.275431 -1.832063 -1.427210
H -3.754282 0.098035 -2.075945
H -1.296274 -0.558345 3.335598
H 0.105632 0.127762 2.467039
H -1.141469 1.202508 3.145538
H 2.949595 -1.270021 1.412666
H 0.703168 0.111505 -2.044413
H -3.776078 3.365199 -0.476413
H -4.622746 2.325401 -1.657585
H -5.174451 2.393495 0.036243
H 4.226515 0.917535 1.463313
H 1.964747 2.305980 -1.993618


