%chk=000213498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213498

0 1
Br -0.786634 -0.921654 0.192873
S 6.129252 -1.291766 -0.569633
O -3.554397 -0.036798 0.016228
O 3.142528 -1.711565 0.208565
O -6.716732 -1.535801 0.267312
O -4.718184 -2.358468 0.456399
N 2.730223 0.571033 -0.042208
N -5.497305 -1.445570 0.266409
N 1.389592 0.394551 -0.031611
C -3.279821 1.308111 -0.243297
C -4.460085 2.026138 -0.399545
C -4.958692 -0.121660 0.014211
C -5.537195 1.108244 -0.234377
C -1.900510 1.720872 -0.304884
C 4.996991 -0.227139 0.184423
C 5.646265 0.816107 0.793810
C -0.811726 0.953791 -0.152154
C 3.574307 -0.591275 0.137057
C 7.071672 0.755160 0.624793
C 7.481933 -0.329229 -0.101971
C 0.578465 1.410065 -0.221946
H -4.557031 3.075577 -0.606497
H -6.591706 1.328371 -0.291757
H -1.779110 2.798027 -0.503012
H 5.167797 1.603037 1.362302
H 7.731840 1.503622 1.044172
H 8.491351 -0.600315 -0.370365
H 3.164177 1.489950 -0.198720
H 0.801834 2.458483 -0.409676


%chk=000213498-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213498

0 1
Br -1.227907 -1.731301 0.172753
S 6.709756 -1.160013 -0.165101
O -3.914412 -0.167628 -0.003076
O 3.787572 -2.046681 0.029278
O -7.474275 -0.579935 0.022147
O -5.782278 -2.135729 0.179083
N 2.841131 0.112662 0.002364
N -6.219362 -0.924975 0.060534
N 1.555892 -0.355498 0.039858
C -3.228246 1.061973 -0.119028
C -4.174623 2.105130 -0.222363
C -5.275796 0.148762 -0.038563
C -5.474590 1.522422 -0.171061
C -1.798504 1.128546 -0.120796
C 5.254013 -0.131790 0.121940
C 5.619268 1.186860 0.404693
C -0.822685 0.150477 -0.018582
C 3.934322 -0.798240 0.054113
C 7.038665 1.407934 0.388363
C 7.761193 0.257595 0.095603
C 0.581190 0.530526 -0.053481
H -3.937536 3.162515 -0.322748
H -6.439943 2.018373 -0.222308
H -1.427662 2.158655 -0.223443
H 4.907746 1.980132 0.653823
H 7.504976 2.374437 0.591432
H 8.840521 0.136580 0.018816
H 3.039224 1.120100 -0.101150
H 0.771448 1.618009 -0.166200


