%chk=000211680.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211680

0 1
Br -4.074712 3.445625 0.744337
Cl -3.404737 2.074851 -2.199992
S 1.225846 -3.437889 0.509870
S -1.343132 -2.705157 1.596950
N 2.394499 -1.141386 -0.225667
N -0.015499 -1.097983 -0.051448
C 3.578509 -0.332484 -0.662896
C 1.143092 -0.780909 -0.951343
C 3.450140 1.095382 -0.108164
C 2.642219 -2.596531 -0.290748
C 4.689454 1.931829 -0.450804
C -0.992949 -0.043263 0.144732
C -0.074488 -2.258448 0.657996
C 4.566404 3.355507 0.085812
C -1.676737 0.450249 -0.976101
C -1.227792 0.487251 1.425698
C -2.595737 1.491179 -0.801513
C -2.155558 1.516433 1.579472
C -2.838067 2.028732 0.466815
H 3.704888 -0.316397 -1.766311
H 4.495302 -0.806717 -0.243969
H 0.994109 -1.336835 -1.910872
H 1.138269 0.314998 -1.178937
H 3.306709 1.053606 0.991857
H 2.539327 1.587002 -0.501854
H 2.774762 -3.014250 -1.310394
H 3.547563 -2.847614 0.308256
H 4.840336 1.959245 -1.547922
H 5.597051 1.454280 -0.030649
H 5.457334 3.947663 -0.154059
H 3.702425 3.878412 -0.340454
H 4.450299 3.368995 1.176227
H -1.520394 0.018023 -1.965383
H -0.700214 0.087929 2.296731
H -2.348322 1.922368 2.577024


%chk=000211680-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211680

0 1
Br -4.086999 3.611968 -0.287218
Cl -4.077075 0.864759 -2.289742
S 2.053443 -2.627457 1.200462
S -0.220129 -1.365259 2.670664
N 2.358962 -1.277505 -1.304022
N 0.293981 -0.800085 0.026082
C 3.208324 -0.060880 -1.250030
C 0.925458 -1.137293 -1.333305
C 3.329142 0.666257 0.114261
C 2.794024 -2.470434 -0.642819
C 4.326326 1.845416 0.035050
C -0.750667 0.196240 0.002251
C 0.614901 -1.485728 1.190324
C 4.457159 2.602296 1.374104
C -1.789322 0.078963 -0.950241
C -0.715629 1.321148 0.864033
C -2.776495 1.082280 -1.046683
C -1.709151 2.311795 0.765915
C -2.746024 2.203521 -0.192181
H 2.812715 0.643165 -2.008294
H 4.219965 -0.355678 -1.591851
H 0.479527 -2.087712 -1.685833
H 0.631405 -0.321008 -2.010710
H 3.657069 -0.047826 0.894354
H 2.338101 1.045230 0.429682
H 2.434112 -3.378720 -1.150437
H 3.885460 -2.495469 -0.513119
H 4.003403 2.550140 -0.758894
H 5.322437 1.464963 -0.272346
H 5.183457 3.431902 1.298682
H 3.485806 3.030575 1.685124
H 4.796988 1.925496 2.180008
H -1.859293 -0.800095 -1.597167
H 0.073182 1.409796 1.614451
H -1.684364 3.178934 1.431744


