%chk=000288854.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288854

0 1
Br 3.438789 -2.428079 0.923951
Cl 0.607284 -3.276768 -1.213110
O -4.938174 0.789554 1.335005
O -4.541784 1.463444 -0.681926
N -4.263530 0.823074 0.318575
C 1.862980 -1.375340 0.299556
C 0.613967 -2.265467 0.268808
C 2.243202 -0.733434 -1.022791
C 1.730245 -0.194594 1.251399
C 2.331854 0.608078 -0.849927
C 2.009776 0.945764 0.574553
C -0.660912 -1.454555 0.268829
C 2.666537 1.685243 -1.761409
C 2.043582 2.336493 0.984424
C -1.479495 -1.464469 1.410201
C -1.028567 -0.702715 -0.858088
C 2.677660 2.959751 -1.309895
C 2.361811 3.289132 0.079085
C -2.659506 -0.721794 1.430386
C -2.206020 0.043554 -0.847459
C -3.014114 0.029948 0.299960
H 0.625247 -2.983807 1.131831
H 2.424549 -1.319229 -1.906263
H 1.470810 -0.325808 2.284048
H 2.904225 1.424939 -2.791679
H 1.809455 2.567494 2.022365
H -1.200298 -2.051768 2.285880
H -0.390983 -0.700482 -1.746610
H 2.925467 3.793815 -1.967291
H 2.396454 4.344350 0.352656
H -3.309427 -0.719034 2.312855
H -2.505684 0.636810 -1.719016


%chk=000288854-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288854

0 1
Br 3.517820 -2.504099 0.721965
Cl 0.621884 -3.575050 -0.997493
O -5.107246 0.740770 1.286260
O -4.677243 1.385441 -0.859575
N -4.374774 0.749117 0.222497
C 1.859169 -1.338624 0.254707
C 0.606212 -2.235147 0.365003
C 2.154343 -0.679652 -1.076292
C 1.858294 -0.201726 1.265400
C 2.317586 0.677363 -0.863791
C 2.125935 0.975948 0.592886
C -0.697484 -1.461781 0.292725
C 2.629834 1.759745 -1.776054
C 2.250273 2.342017 1.061684
C -1.548492 -1.448893 1.428598
C -1.085732 -0.756719 -0.876899
C 2.737796 3.044147 -1.274649
C 2.546340 3.336002 0.146532
C -2.756297 -0.725996 1.417007
C -2.286945 -0.026552 -0.905068
C -3.104359 -0.018099 0.246783
H 0.659643 -2.820995 1.295356
H 2.241581 -1.241113 -2.005876
H 1.695230 -0.349650 2.333310
H 2.778605 1.552538 -2.841035
H 2.111110 2.572179 2.123171
H -1.264434 -2.008335 2.326875
H -0.450910 -0.796317 -1.765920
H 2.973640 3.877713 -1.945655
H 2.644376 4.375769 0.478195
H -3.425056 -0.701797 2.281051
H -2.605298 0.525898 -1.792796


