%chk=000233585.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233585

0 1
Br 5.141968 1.921157 -1.217834
O 0.361288 -2.851126 0.082870
N -1.796833 -1.011260 1.391742
C -2.503907 -2.156058 0.743782
C -2.541383 -2.070369 -0.787240
C -3.198793 -0.761870 -1.231736
C -2.027975 0.274477 0.782733
C -2.720607 0.423754 -0.442047
C -0.380437 -1.289652 1.743261
C -1.630178 1.421955 1.501273
C -2.990501 1.713539 -0.920784
C 0.508184 -1.759886 0.585853
C -1.906838 2.694177 1.004626
C -2.584067 2.843858 -0.209789
C 1.609712 -0.843169 0.152950
C 2.891202 -1.384202 -0.034906
C 1.378390 0.516027 -0.090640
C 3.948255 -0.564234 -0.438150
C 2.427912 1.342341 -0.505055
C 3.700821 0.791641 -0.666370
H -2.036909 -3.114287 1.060550
H -3.539982 -2.144335 1.155564
H -3.089928 -2.937294 -1.200672
H -1.514258 -2.149759 -1.198716
H -3.015176 -0.601971 -2.314123
H -4.302569 -0.838923 -1.122033
H 0.057698 -0.399346 2.247709
H -0.386231 -2.097717 2.517120
H -1.127634 1.312426 2.461241
H -3.523952 1.835886 -1.863072
H -1.600676 3.573576 1.569158
H -2.799024 3.837347 -0.596470
H 3.058384 -2.451764 0.127602
H 0.376412 0.939195 0.026943
H 4.945530 -0.984309 -0.577323
H 2.244803 2.400576 -0.698817


%chk=000233585-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233585

0 1
Br 5.031867 1.222860 -2.063017
O 1.098121 -2.933667 1.924543
N -1.389072 -0.834464 0.813805
C -1.897103 -2.036868 0.114084
C -2.277229 -1.712301 -1.339445
C -3.353473 -0.609360 -1.350548
C -1.996183 0.421631 0.587213
C -2.951843 0.574947 -0.477544
C -0.507301 -1.114843 1.952612
C -1.677246 1.572929 1.371838
C -3.529984 1.840648 -0.710307
C 0.829914 -1.762164 1.520050
C -2.281036 2.822352 1.121571
C -3.215010 2.972400 0.074368
C 1.785805 -1.013751 0.640590
C 2.993406 -1.667155 0.268107
C 1.556954 0.315502 0.192069
C 3.955759 -1.018244 -0.527798
C 2.513219 0.979593 -0.604721
C 3.701554 0.304194 -0.955314
H -1.110764 -2.811816 0.141875
H -2.781736 -2.447987 0.651903
H -2.650472 -2.627281 -1.834897
H -1.375238 -1.376012 -1.884205
H -3.544585 -0.262910 -2.383235
H -4.309994 -1.036229 -0.983413
H -0.295046 -0.194545 2.518453
H -0.979067 -1.832608 2.654621
H -0.972868 1.509697 2.207456
H -4.249732 1.935986 -1.533871
H -2.015028 3.677939 1.752863
H -3.682671 3.941127 -0.127681
H 3.159564 -2.690057 0.621676
H 0.632990 0.843735 0.443145
H 4.883506 -1.524483 -0.808586
H 2.332725 2.001605 -0.949062


