%chk=000254231.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254231

0 1
Br -0.222552 2.848493 -1.164205
Cl -4.378165 2.614399 1.704051
S -1.718147 -2.081319 -1.419061
N 4.308979 1.687732 -0.286687
C -0.180112 0.167027 -0.194422
C 2.033036 1.096140 -1.011045
C -1.645458 0.265727 -0.007940
C 0.366088 -1.176636 0.110811
C 2.856098 1.924768 -0.003384
C 0.576652 1.154062 -0.704300
C -2.462021 -0.717080 -0.593938
C -0.263926 -2.299508 -0.450999
C -2.242917 1.294165 0.734344
C 1.480540 -1.368327 0.939726
C -3.854004 -0.654090 -0.521841
C 0.228986 -3.587849 -0.251130
C -3.636788 1.341405 0.804731
C 1.976626 -2.658178 1.151990
C 4.792310 0.443825 0.383053
C 5.129539 2.859299 0.141225
C -4.454811 0.397902 0.176037
C 1.364251 -3.762107 0.548151
H 2.395945 0.043557 -1.036008
H 2.238721 1.467265 -2.042552
H 2.561163 1.673396 1.036914
H 2.621691 3.004061 -0.143168
H -1.636515 2.042039 1.248049
H 1.955486 -0.512133 1.418594
H -4.473988 -1.417694 -0.995084
H -0.263719 -4.451211 -0.700074
H 4.186509 -0.411502 0.041448
H 4.770706 0.469180 1.481982
H 5.829246 0.250355 0.062625
H 6.184174 2.670774 -0.118159
H 5.076182 3.099564 1.212674
H 4.814181 3.745853 -0.433300
H 2.844517 -2.804493 1.793891
H -5.540173 0.473977 0.239663
H 1.763370 -4.762638 0.710336


%chk=000254231-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254231

0 1
Br -0.122888 2.893841 -1.209885
Cl -4.496051 2.765348 1.640887
S -1.797924 -2.188380 -1.483760
N 4.388864 1.838744 -0.291892
C -0.228424 0.141422 -0.195422
C 2.090600 1.046471 -0.926493
C -1.712602 0.257250 -0.061108
C 0.311616 -1.219233 0.136827
C 2.954182 1.880376 0.059885
C 0.606193 1.126459 -0.659400
C -2.545054 -0.747793 -0.625630
C -0.318713 -2.371241 -0.409933
C -2.327886 1.315323 0.658307
C 1.416929 -1.415938 1.007446
C -3.952791 -0.661707 -0.546831
C 0.176648 -3.669391 -0.155568
C -3.728166 1.383749 0.729535
C 1.917879 -2.708345 1.268595
C 5.027108 0.538651 -0.004255
C 5.146299 2.965029 0.292540
C -4.559783 0.421068 0.124020
C 1.306776 -3.837295 0.673854
H 2.391746 -0.015376 -0.896074
H 2.302160 1.422414 -1.944352
H 2.766125 1.528502 1.109245
H 2.619529 2.932286 0.009656
H -1.713445 2.077175 1.142498
H 1.874135 -0.544261 1.487711
H -4.575815 -1.444871 -0.989837
H -0.328849 -4.539398 -0.587321
H 4.519578 -0.273864 -0.551405
H 5.018955 0.279474 1.086600
H 6.078523 0.562059 -0.341166
H 6.185806 2.944214 -0.081131
H 5.183612 2.946190 1.411613
H 4.691691 3.921684 -0.019564
H 2.774170 -2.835173 1.939386
H -5.648295 0.498667 0.192106
H 1.689260 -4.843927 0.873313


