%chk=000251738.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251738

0 1
I -6.150180 -0.844462 0.118136
Br 2.314954 2.897856 0.080848
N -0.119142 1.047899 0.097911
N 1.050170 -1.051254 -0.076100
N 3.524346 -1.059942 -0.154030
N 4.709659 0.973884 -0.076520
N 2.273590 -3.052831 -0.310545
C -1.456712 0.540873 0.100674
C 1.062609 0.317582 -0.000929
C 2.285078 1.036835 -0.006206
C -2.451507 1.415213 0.597640
C -1.816110 -0.724423 -0.394400
C 3.504065 0.319096 -0.082793
C -3.787375 1.015613 0.599740
C -3.157032 -1.114375 -0.384554
C -4.127599 -0.245089 0.109976
C 2.288122 -1.680074 -0.165104
H -0.037434 2.061994 0.251285
H -2.187118 2.396701 0.986151
H -1.058222 -1.410432 -0.784998
H -4.552951 1.691849 0.986192
H -3.431560 -2.099486 -0.768773
H 5.568566 0.447654 -0.145668
H 4.779301 1.977001 -0.047760
H 1.411050 -3.557793 -0.174996
H 3.138932 -3.567189 -0.242276


%chk=000251738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251738

0 1
I -6.281352 -0.797528 0.132808
Br 2.320641 2.981051 0.427768
N -0.127578 0.972640 0.177910
N 1.094170 -1.046027 -0.190314
N 3.543741 -1.022550 -0.269709
N 4.763112 0.945309 0.011063
N 2.330455 -2.994952 -0.549978
C -1.464192 0.503282 0.153772
C 1.080542 0.304689 0.030515
C 2.306548 1.031875 0.108238
C -2.484021 1.479272 0.339943
C -1.838164 -0.854081 -0.039252
C 3.533883 0.333121 -0.047575
C -3.844616 1.117084 0.335333
C -3.202697 -1.216436 -0.043723
C -4.199898 -0.236070 0.142636
C 2.324951 -1.636539 -0.328482
H -0.028933 1.979781 0.334143
H -2.215272 2.532819 0.490333
H -1.055642 -1.599498 -0.182127
H -4.611267 1.883057 0.480345
H -3.476990 -2.265067 -0.193352
H 5.587152 0.361570 -0.111461
H 4.854038 1.944834 0.171564
H 1.449114 -3.495984 -0.606653
H 3.219777 -3.472949 -0.660844


