%chk=000295731.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295731

0 1
Br 1.934115 -2.634262 1.391861
O -3.514509 -1.135529 0.000626
O -1.522409 -2.146114 -0.318673
N 0.700472 -0.535693 -0.209010
N 0.266887 1.791722 0.085880
N -2.005956 2.593496 0.384068
C -0.202397 0.488677 -0.038035
C -1.611270 0.228289 0.029114
C 2.123554 -0.370257 -0.279629
C -2.464729 1.337959 0.248369
C -0.631171 2.784191 0.296726
C 2.895403 -1.331392 0.404449
C 2.762673 0.644221 -1.006076
C -2.148071 -1.116236 -0.115034
C 4.285077 -1.303995 0.357581
C 4.160317 0.674233 -1.044666
C 4.917986 -0.291550 -0.375016
C -4.165103 -2.452769 -0.129718
C -0.125600 4.175882 0.441849
C -5.636045 -2.137945 0.025116
H 0.316996 -1.510428 -0.303144
H -3.555415 1.186998 0.313388
H 2.176394 1.408837 -1.519711
H 4.873866 -2.054204 0.887289
H 4.662032 1.463140 -1.606517
H -3.897898 -2.859932 -1.120078
H -3.761872 -3.101776 0.666599
H 6.005853 -0.257223 -0.417368
H -0.539499 4.829695 -0.344141
H -0.441881 4.609587 1.406179
H 0.973661 4.229992 0.389529
H -6.245383 -3.047200 -0.047402
H -5.847133 -1.666652 0.995352
H -5.981945 -1.437060 -0.747457


%chk=000295731-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295731

0 1
Br 1.880943 -3.319150 -0.170377
O -3.534421 -1.098794 0.088375
O -1.424108 -2.075980 -0.006727
N 0.708991 -0.397638 -0.082012
N 0.217821 1.942304 -0.040070
N -2.077630 2.753761 0.062518
C -0.207049 0.632327 -0.034375
C -1.627880 0.343704 0.022354
C 2.124027 -0.366486 -0.144639
C -2.497621 1.459982 0.068478
C -0.710827 2.934268 0.007057
C 2.842095 -1.601103 -0.191955
C 2.894599 0.833200 -0.163541
C -2.149539 -1.034058 0.032233
C 4.246384 -1.645696 -0.256494
C 4.300671 0.789623 -0.227499
C 4.987700 -0.443136 -0.274735
C -4.129463 -2.474276 0.101400
C -0.222090 4.358605 -0.002859
C -5.641709 -2.294956 0.166505
H 0.260474 -1.337775 -0.071660
H -3.577778 1.292437 0.112012
H 2.350987 1.777791 -0.127054
H 4.754831 -2.613355 -0.292529
H 4.860621 1.730967 -0.239954
H -3.800103 -2.999476 -0.812970
H -3.724846 -3.015282 0.975459
H 6.080543 -0.479403 -0.324876
H -0.625103 4.889262 -0.884334
H -0.599419 4.893476 0.886835
H 0.876875 4.394076 -0.021053
H -6.131623 -3.285531 0.176006
H -5.937510 -1.753312 1.081052
H -6.011842 -1.733674 -0.708268


