%chk=000219668.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219668

0 1
Br -2.936461 1.096583 -0.105575
C 1.222106 0.542888 0.000569
C -0.057150 1.135807 -0.045101
C 1.336070 -0.864582 0.046433
C -1.091513 -1.092909 0.001704
C -1.191208 0.304699 -0.043671
C 0.187649 -1.664259 0.046653
C 2.466688 1.374478 0.001556
C -0.230646 2.618946 -0.094623
C 2.679114 -1.521480 0.095293
C -2.300939 -1.966210 0.002951
H 0.285875 -2.747519 0.082238
H 2.254070 2.454807 -0.036343
H 3.062070 1.197207 0.907978
H 3.100087 1.142474 -0.865897
H -0.771886 2.928288 -1.002308
H -0.809782 2.982953 0.768294
H 0.727575 3.161523 -0.090880
H 3.244781 -1.205963 0.983943
H 2.614219 -2.616781 0.127711
H 3.282445 -1.260582 -0.786272
H -2.949056 -1.751601 0.867498
H -2.911246 -1.806510 -0.900138
H -2.054562 -3.034555 0.041386


%chk=000219668-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219668

0 1
Br -3.001159 1.124987 -0.109079
C 1.235496 0.563912 0.000241
C -0.060520 1.170005 -0.046386
C 1.347571 -0.860992 0.046406
C -1.119409 -1.101539 0.001607
C -1.194945 0.309970 -0.044096
C 0.182384 -1.656975 0.046360
C 2.524592 1.373174 0.004056
C -0.267091 2.674453 -0.097568
C 2.708065 -1.534487 0.095380
C -2.337503 -2.002780 0.003795
H 0.280440 -2.748804 0.081673
H 2.362262 2.459624 -0.033491
H 3.121004 1.160547 0.912540
H 3.161464 1.105125 -0.861240
H -0.829597 2.963681 -1.004761
H -0.867369 3.018712 0.765119
H 0.677721 3.236175 -0.094917
H 3.289527 -1.223585 0.985099
H 2.604512 -2.632405 0.128682
H 3.325125 -1.281106 -0.788682
H -2.992048 -1.796035 0.870970
H -2.955188 -1.850141 -0.900825
H -2.037032 -3.063816 0.042517


