%chk=000246351.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246351

0 1
Br -3.820408 2.084874 -0.037211
O -2.098421 -2.767741 0.017100
O -0.747635 2.453493 -0.033858
O 2.049870 2.444419 -1.110500
O 2.043309 2.467125 1.059099
N 1.837706 1.954017 -0.021078
N -4.110763 -0.908160 -0.007520
C 0.014075 0.202816 -0.007938
C -0.339713 -1.158362 0.005247
C 2.389479 -0.461689 0.005519
C 1.374540 0.523737 -0.007515
C 2.010264 -1.821346 0.018653
C 0.648970 -2.151544 0.018324
C -1.753099 -1.606945 0.006032
C -1.058391 1.284852 -0.022200
C -2.808506 -0.505134 -0.008214
C 3.817511 -0.038925 0.004986
C -2.436101 0.806863 -0.020674
C 3.024517 -2.916243 0.032910
H 0.338569 -3.204181 0.028417
H 4.529367 -0.874798 0.015557
H 4.062556 0.563753 -0.888006
H 4.057806 0.582149 0.886575
H 3.675941 -2.875038 -0.853970
H 3.670854 -2.856581 0.922464
H 2.570070 -3.917482 0.042008
H -4.335201 -1.895303 0.002013
H -4.882166 -0.255624 -0.016620


%chk=000246351-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246351

0 1
Br -3.832544 2.220946 -0.039685
O -2.163860 -2.792459 0.016924
O -0.730490 2.515963 -0.034054
O 2.092117 2.459395 -1.168871
O 2.085996 2.483344 1.117009
N 1.834247 1.942549 -0.021072
N -4.118387 -0.964290 -0.006656
C -0.012604 0.210271 -0.008078
C -0.363927 -1.168531 0.005112
C 2.395472 -0.458376 0.005526
C 1.362244 0.519452 -0.007460
C 2.012445 -1.834707 0.018636
C 0.637983 -2.162703 0.018091
C -1.786080 -1.578856 0.005567
C -1.067123 1.290535 -0.022181
C -2.836937 -0.495823 -0.008272
C 3.846295 -0.021239 0.005187
C -2.458663 0.840949 -0.021205
C 3.045908 -2.945285 0.033099
H 0.319021 -3.210008 0.028010
H 4.534576 -0.877346 0.016576
H 4.069636 0.591288 -0.888089
H 4.064145 0.610466 0.886380
H 3.703095 -2.902414 -0.855109
H 3.698180 -2.883754 0.923834
H 2.557127 -3.932963 0.042112
H -4.251297 -1.978370 0.003487
H -4.911575 -0.325030 -0.015217


