%chk=000241892.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241892

0 1
Br 4.154745 1.536168 -0.094230
O -3.068273 0.403390 0.996952
N -0.786468 0.117107 0.593898
N 0.754502 1.825674 0.778211
N 0.751250 -1.649591 -0.329455
N 3.039072 -0.823520 -0.586175
C -2.102130 -0.595453 0.685690
C -2.516481 -1.243545 -0.643777
C -3.490369 -0.246074 -1.291330
C -3.794076 0.798144 -0.210680
C 0.429255 -0.401539 0.141210
C -0.525609 1.475747 0.965551
C 1.387278 0.686742 0.267479
C 2.701297 0.383207 -0.127664
C 2.052716 -1.798122 -0.670487
H -2.074975 -1.274689 1.570660
H -3.002150 -2.219404 -0.455187
H -1.654249 -1.469660 -1.301362
H -3.040982 0.222807 -2.186035
H -4.408258 -0.752629 -1.638402
H -3.443793 1.810822 -0.464816
H -4.846628 0.821095 0.114668
H -1.317412 2.105653 1.360207
H 2.373437 -2.780930 -1.053424


%chk=000241892-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241892

0 1
Br 4.116283 1.670293 -0.123676
O -3.119529 0.433188 1.040812
N -0.787633 0.141032 0.576572
N 0.781157 1.819418 0.774792
N 0.661541 -1.635421 -0.389488
N 2.963913 -0.872493 -0.698215
C -2.102583 -0.565347 0.762445
C -2.554547 -1.292547 -0.517334
C -3.215690 -0.147102 -1.326833
C -3.876954 0.717297 -0.229504
C 0.411680 -0.390999 0.098445
C -0.499761 1.457325 0.976997
C 1.377559 0.675592 0.225773
C 2.680231 0.347811 -0.213079
C 1.959302 -1.808303 -0.767512
H -2.017633 -1.216760 1.648103
H -3.303919 -2.052124 -0.231532
H -1.721819 -1.792153 -1.034505
H -2.449949 0.428189 -1.875780
H -3.951677 -0.523861 -2.055346
H -3.816072 1.801700 -0.422555
H -4.927146 0.434055 -0.039110
H -1.270841 2.089971 1.407759
H 2.235787 -2.787364 -1.165729


