%chk=000192356.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192356

0 1
Br -0.581167 4.780564 -0.796163
O 2.481476 0.261664 -0.604151
O -2.503846 -1.237827 2.822319
O 4.080025 -1.758243 -1.861157
N -2.872003 -1.607940 0.570017
C -1.076449 -3.156016 0.082962
C 1.674630 1.305740 0.042640
C 2.467631 2.582492 -0.277738
C 1.663201 1.117538 1.568400
C 2.567644 3.359685 1.043521
C 2.398575 2.326262 2.173183
C -2.221883 -2.319568 -0.564068
C -1.206778 -2.937555 1.609231
C 0.279769 -2.732476 -0.428070
C -2.227556 -1.832723 1.799277
C -3.741224 -0.442827 0.321438
C 1.966736 -1.009491 -0.718676
C 0.709157 -1.401391 -0.265282
C 1.112736 -3.661923 -1.052307
C 2.817484 -1.962442 -1.354279
C 2.377528 -3.280209 -1.515828
C -2.951961 0.815247 0.033839
C -2.269981 1.458084 1.079266
C -2.906371 1.347274 -1.261333
C -1.556996 2.633855 0.837061
C -2.196140 2.525919 -1.513947
C -1.534019 3.155567 -0.459232
C 4.661178 -0.435609 -1.741053
H -1.245084 -4.234667 -0.147041
H 0.664803 1.291733 -0.410176
H 3.472016 2.312144 -0.658971
H 1.983624 3.174462 -1.071691
H 0.630669 1.047208 1.951412
H 2.162040 0.170399 1.844783
H 3.526966 3.895330 1.125699
H 1.775025 4.128427 1.098486
H 1.843743 2.750430 3.025679
H 3.384149 2.018851 2.565758
H -1.840249 -1.609827 -1.327122
H -2.965694 -2.976339 -1.059517
H -0.243738 -2.656918 2.078815
H -1.534140 -3.855867 2.130657
H -4.440194 -0.685149 -0.510323
H -4.375454 -0.288981 1.233527
H 0.047015 -0.685684 0.219160
H 0.793626 -4.693967 -1.184482
H 3.035102 -3.999378 -2.003680
H -2.303415 1.031226 2.089267
H -3.427337 0.851347 -2.079486
H -1.032376 3.135108 1.652441
H -2.168415 2.941540 -2.522089
H 4.741152 -0.153515 -0.685745
H 5.645120 -0.581499 -2.200040
H 4.056149 0.289634 -2.294992


%chk=000192356-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000192356

0 1
Br -1.306045 5.175005 -0.831828
O 2.510904 0.341566 -0.674397
O -2.525369 -1.382420 2.880465
O 4.155162 -1.576072 -1.962453
N -2.734215 -1.555764 0.543531
C -1.040378 -3.189357 -0.001614
C 1.640863 1.385746 -0.050670
C 2.269593 2.751975 -0.439307
C 1.712346 1.307899 1.496351
C 2.796525 3.387107 0.883896
C 2.931933 2.189833 1.859540
C -2.209569 -2.321539 -0.599978
C -1.223390 -3.067777 1.547577
C 0.335563 -2.745060 -0.491309
C -2.211490 -1.919915 1.776774
C -3.763717 -0.510936 0.406239
C 2.039769 -0.976352 -0.759497
C 0.775638 -1.409148 -0.294004
C 1.188836 -3.653476 -1.156805
C 2.908191 -1.915423 -1.406038
C 2.465168 -3.238525 -1.598757
C -3.180590 0.864021 0.088103
C -2.552262 1.612497 1.117791
C -3.246573 1.414544 -1.214412
C -1.998300 2.884219 0.853860
C -2.692179 2.685046 -1.499470
C -2.074290 3.402897 -0.456621
C 5.138631 -0.904587 -1.088479
H -1.181588 -4.238773 -0.311750
H 0.616468 1.261324 -0.448301
H 3.091382 2.558556 -1.150909
H 1.536293 3.401692 -0.946826
H 0.787936 1.748735 1.919199
H 1.785547 0.269254 1.861546
H 3.745083 3.932940 0.738196
H 2.056972 4.109053 1.280744
H 2.941730 2.494001 2.920890
H 3.867977 1.634814 1.656543
H -1.838434 -1.645573 -1.392189
H -3.006841 -2.957594 -1.035893
H -0.276039 -2.858418 2.070643
H -1.645659 -3.987744 1.991585
H -4.475668 -0.823134 -0.380473
H -4.300086 -0.474276 1.372625
H 0.112993 -0.701032 0.214871
H 0.865635 -4.687654 -1.323121
H 3.143469 -3.927985 -2.111157
H -2.502037 1.191370 2.128962
H -3.738837 0.856912 -2.020589
H -1.529709 3.463259 1.655000
H -2.747081 3.104245 -2.508062
H 5.368418 -1.537641 -0.208981
H 6.039007 -0.792508 -1.711873
H 4.768811 0.079873 -0.758970


