%chk=000216894.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216894

0 1
Br 5.582623 0.845401 -0.838066
O 0.895865 1.911932 -0.466864
O 2.893308 -1.535649 0.829707
N 2.801564 0.636520 0.070163
N -0.487207 1.789098 -0.521644
C -2.206984 0.055377 -0.077482
C -0.825806 0.543221 -0.141668
C 0.371358 -0.210177 0.185545
C 1.405609 0.667150 -0.028667
C -2.475873 -1.310940 -0.267087
C -3.262776 0.948666 0.172069
C -3.791050 -1.776063 -0.202093
C -4.575103 0.473992 0.236381
C -4.840811 -0.886364 0.050820
C 3.479177 -0.529214 0.502937
C 4.981481 -0.391897 0.524835
H 0.424277 -1.226315 0.532870
H -1.661105 -2.005666 -0.470146
H -3.055659 2.011277 0.311736
H 3.282528 1.516543 -0.158980
H -3.998769 -2.834877 -0.349753
H -5.392198 1.167528 0.430353
H -5.864761 -1.253308 0.101802
H 5.456230 -1.381875 0.346750
H 5.337184 -0.043762 1.516381


%chk=000216894-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216894

0 1
Br 5.862577 1.380696 0.088145
O 0.887324 1.990807 -0.131494
O 2.970688 -1.674905 0.405605
N 2.793512 0.640007 0.105262
N -0.582126 1.882718 -0.171932
C -2.223518 0.057622 -0.004748
C -0.830525 0.549644 -0.016384
C 0.381478 -0.224466 0.122931
C 1.402531 0.703885 0.045485
C -2.497757 -1.328192 0.140704
C -3.308828 0.967285 -0.138573
C -3.829207 -1.795551 0.152171
C -4.636461 0.496844 -0.126636
C -4.903358 -0.886153 0.018672
C 3.506219 -0.535318 0.281204
C 5.032368 -0.455801 0.335467
H 0.498228 -1.293382 0.259973
H -1.675317 -2.043998 0.244600
H -3.096237 2.035334 -0.250100
H 3.313963 1.520720 0.009991
H -4.027744 -2.866890 0.265010
H -5.464690 1.206308 -0.230190
H -5.936742 -1.249804 0.027582
H 5.456405 -1.086234 -0.460244
H 5.380321 -0.810579 1.317399


