%chk=000220146.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220146

0 1
Br -4.859898 1.177705 3.195464
N 3.650625 0.192291 -0.413124
N 0.156587 -0.671275 1.536566
N -1.927904 0.023273 -2.031224
N -0.719636 -0.374159 -2.057363
C 2.833072 1.058318 0.500934
C 2.461080 0.316849 1.796434
C 1.614171 -0.941254 1.550541
C 4.977599 -0.159580 0.201081
C 3.858422 0.868228 -1.741568
C 5.545914 -1.405737 -0.478968
C 2.569104 0.897565 -2.557257
C -0.531667 -0.373113 0.370740
C -1.905436 0.090903 0.431686
C -2.577004 0.273496 -0.808120
C 0.011708 -0.579281 -0.908983
C -2.610500 0.366930 1.641308
C -3.935316 0.724168 -0.832721
C -3.911244 0.800817 1.579717
C -4.592604 0.984123 0.342756
H 3.341394 2.012755 0.759146
H 1.901136 1.332928 -0.046702
H 3.390263 0.016511 2.328870
H 1.941869 1.018051 2.476855
H 1.796802 -1.691231 2.354113
H 1.927768 -1.427400 0.591362
H 5.710592 0.674126 0.149121
H 4.825279 -0.375055 1.283888
H 4.263833 1.898040 -1.633758
H 4.623611 0.282911 -2.302285
H -0.227708 -0.331048 2.415809
H 4.806024 -2.217332 -0.494499
H 5.821715 -1.213077 -1.522755
H 6.436972 -1.768691 0.042485
H 2.150031 -0.111395 -2.686564
H 1.784979 1.503306 -2.087870
H 2.745606 1.306112 -3.558201
H 1.049169 -0.909357 -1.053853
H -2.109334 0.225299 2.599540
H -4.419213 0.849644 -1.805171
H -5.629161 1.328138 0.342971


%chk=000220146-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220146

0 1
Br -5.118692 1.048313 2.957407
N 3.519580 0.195218 -0.437644
N 0.270272 -0.208145 1.705037
N -1.757505 -0.346100 -2.041982
N -0.428137 -0.590678 -1.946986
C 3.040418 1.176502 0.578956
C 2.686821 0.566955 1.954851
C 1.673781 -0.607557 1.917049
C 4.709527 -0.577139 0.030328
C 3.814617 0.873262 -1.741291
C 5.084031 -1.754586 -0.891651
C 2.617951 1.579553 -2.405983
C -0.414332 -0.240264 0.505744
C -1.837561 0.035149 0.443417
C -2.448849 -0.035861 -0.862213
C 0.217002 -0.544623 -0.727716
C -2.649438 0.359596 1.576781
C -3.850504 0.223927 -0.995620
C -4.010272 0.604953 1.397545
C -4.632749 0.542789 0.114913
H 3.797845 1.986867 0.745205
H 2.137175 1.663100 0.169931
H 3.601594 0.213946 2.468805
H 2.277650 1.378232 2.589039
H 1.719480 -1.148016 2.882266
H 1.966536 -1.320798 1.127891
H 5.597662 0.094855 0.162561
H 4.477276 -0.992066 1.026911
H 4.650670 1.609565 -1.606489
H 4.180066 0.099358 -2.437702
H -0.244662 0.074896 2.538599
H 4.191645 -2.368601 -1.108872
H 5.517943 -1.425936 -1.851454
H 5.835281 -2.395056 -0.394156
H 1.776359 0.885325 -2.568811
H 2.252964 2.443805 -1.823307
H 2.933395 1.964550 -3.393399
H 1.298763 -0.710667 -0.787535
H -2.231862 0.416070 2.587282
H -4.279874 0.162060 -2.000196
H -5.703166 0.740749 0.012891


