%chk=000194316.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194316

0 1
I -7.916734 -1.111635 -2.133152
Br 5.318681 1.778020 -1.285329
Br 4.949201 -2.616159 -1.140267
Br 1.233795 5.358108 0.534091
Br 0.343263 -5.328714 0.918002
O 0.251554 0.101924 2.012339
O 3.285840 -0.241672 -0.539230
O -1.535906 0.294143 3.356423
O 3.868754 4.494594 -0.583796
O 3.213498 -4.917686 -0.313133
O -5.902287 0.377206 0.824589
N -4.840882 0.455444 -1.222941
C 0.570516 0.026358 0.559450
C -0.798611 0.119706 -0.099709
C 1.456925 1.198172 0.250253
C 1.245626 -1.297212 0.337675
C -1.794997 0.234719 0.894984
C 2.746205 1.007396 -0.266516
C 2.547946 -1.363065 -0.186098
C -1.132389 0.223712 2.233368
C -1.140741 0.106242 -1.440856
C 1.024663 2.513973 0.498292
C 0.602748 -2.497889 0.677258
C -3.135885 0.337058 0.587170
C 3.600650 2.078927 -0.575326
C 3.211425 -2.578496 -0.416229
C -2.497334 0.209955 -1.784559
C -3.487373 0.326557 -0.787896
C 1.843646 3.598633 0.207083
C 1.232417 -3.721263 0.466884
C 3.139014 3.386780 -0.329644
C 2.539022 -3.769869 -0.078619
C -5.981001 0.458594 -0.381593
C -7.288044 0.646642 -1.105250
H -0.380724 0.017112 -2.217523
H 0.027997 2.673172 0.928580
H -0.403423 -2.459924 1.112607
H -3.898291 0.418992 1.374963
H -2.773353 0.198194 -2.838848
H -4.986508 0.430383 -2.237588
H 4.785282 4.292535 -0.946602
H 2.704281 -5.740326 -0.039195
H -7.273958 1.480704 -1.827140
H -8.083503 0.884355 -0.364972


%chk=000194316-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194316

0 1
I -7.606618 0.438753 -3.069052
Br 5.620552 1.873227 -0.648330
Br 5.283366 -2.678849 -0.355789
Br 1.012473 5.386831 -0.350650
Br 0.223671 -5.432249 0.314463
O 0.340667 0.120344 1.992640
O 3.498082 -0.236504 -0.075181
O -1.515344 0.335719 3.398500
O 3.945800 4.554711 -0.694456
O 3.334327 -5.022336 -0.104294
O -6.006823 0.562447 1.051475
N -4.938562 0.377608 -1.036721
C 0.602369 0.014985 0.463048
C -0.812684 0.091002 -0.103563
C 1.484546 1.188186 0.084856
C 1.297643 -1.313570 0.232634
C -1.757443 0.222125 0.930926
C 2.873916 1.015371 -0.113487
C 2.698484 -1.381687 0.031683
C -1.057376 0.240023 2.248938
C -1.237644 0.053830 -1.443896
C 0.954107 2.499157 0.009104
C 0.573338 -2.526184 0.312695
C -3.141081 0.321198 0.697233
C 3.707920 2.125102 -0.372074
C 3.372804 -2.620544 -0.079150
C -2.617981 0.150899 -1.710044
C -3.571755 0.284605 -0.655759
C 1.774159 3.602346 -0.251677
C 1.233350 -3.752072 0.200084
C 3.174645 3.435728 -0.442507
C 2.643050 -3.829872 0.008558
C -6.040622 0.506643 -0.214308
C -7.429505 0.600773 -0.855404
H -0.521740 -0.045418 -2.265705
H -0.116397 2.653515 0.168702
H -0.506966 -2.498905 0.477207
H -3.852309 0.423384 1.519347
H -2.968905 0.125066 -2.749130
H -5.136120 0.344389 -2.044345
H 4.903355 4.300743 -0.799933
H 2.712254 -5.794445 -0.014366
H -7.876068 1.574628 -0.603606
H -8.061929 -0.206301 -0.456664


