%chk=000205854.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205854

0 1
Br -2.537572 2.714570 0.098276
S 1.747048 -0.701975 -1.718940
P 1.546336 -0.159577 0.080556
O 1.517843 -1.208392 1.317139
O 2.574168 0.935574 0.711902
O 0.142643 0.797986 0.332312
O -2.573997 -1.352273 -0.241430
N -1.208252 -1.144184 -0.032436
C 1.431949 -2.642505 1.012721
C 2.735698 2.185161 -0.052514
C -1.026531 0.189623 0.098703
C -2.292852 0.889873 -0.017154
C -3.220591 -0.106827 -0.227340
C 2.808465 -3.192058 0.705863
C 3.794201 2.918217 0.746182
C -4.667865 -0.150227 -0.433753
H 1.035687 -3.006721 1.984795
H 0.687669 -2.841739 0.216528
H 3.071715 1.953291 -1.081694
H 1.766017 2.720762 -0.058652
H 2.848661 -4.274359 0.884418
H 3.109789 -3.031320 -0.339723
H 3.576854 -2.729274 1.342107
H 3.989739 3.914670 0.334123
H 3.484937 3.035801 1.795655
H 4.741007 2.360414 0.762534
H -4.961213 0.419431 -1.334956
H -5.044544 -1.179963 -0.557665
H -5.209108 0.301524 0.417643


%chk=000205854-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000205854

0 1
Br -2.655551 2.736713 0.041082
S 1.919675 -0.733886 -1.937289
P 1.622146 -0.147585 0.009646
O 1.690913 -1.279464 1.282219
O 2.621306 1.044340 0.713288
O 0.070411 0.750223 0.290467
O -2.729855 -1.386031 -0.226108
N -1.281781 -1.200552 -0.024861
C 1.515521 -2.746390 0.987991
C 2.802482 2.342013 -0.019663
C -1.139264 0.144564 0.075535
C -2.390958 0.843102 -0.039286
C -3.358780 -0.129704 -0.222612
C 2.878352 -3.415761 0.826952
C 3.892676 3.093054 0.735506
C -4.838375 -0.107685 -0.408314
H 0.971722 -3.103826 1.877155
H 0.869894 -2.867108 0.100211
H 3.092540 2.122824 -1.065339
H 1.837844 2.880699 -0.007571
H 2.740059 -4.509709 0.733938
H 3.395145 -3.055508 -0.078983
H 3.516562 -3.220666 1.705502
H 4.068504 4.072689 0.253793
H 3.592131 3.266860 1.782180
H 4.837037 2.523607 0.729971
H -5.115341 0.471581 -1.307257
H -5.219066 -1.135610 -0.520299
H -5.338047 0.362722 0.457345


