%chk=000181008.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181008

0 1
Br -0.884087 3.017486 0.594734
Cl -3.492297 1.586170 -0.099096
O -2.638805 -1.852919 0.640529
O -2.024312 -1.133379 -1.420029
O 4.316861 -0.421645 0.059861
C -1.267103 0.053445 0.581376
C -1.950373 1.425768 0.682475
C -1.877182 0.537494 1.896517
C 0.205052 -0.056095 0.413374
C -1.995568 -1.001834 -0.222731
C 0.810078 0.437521 -0.751243
C 0.988045 -0.663783 1.413202
C 2.192419 0.344262 -0.926857
C 2.363104 -0.768839 1.258667
C 2.957074 -0.257484 0.082684
C -3.431885 -2.942331 0.063383
C -4.739683 -2.397094 -0.468617
C 5.056955 0.057009 -1.111956
C 6.491968 -0.296926 -0.777498
H -2.786007 0.054184 2.270455
H -1.220144 0.802543 2.728276
H 0.194005 0.893895 -1.530698
H 0.510171 -1.057898 2.311124
H 2.645550 0.731887 -1.832492
H 2.991986 -1.233256 2.014602
H -2.827316 -3.439940 -0.715552
H -3.554053 -3.595299 0.946719
H -5.417445 -3.203191 -0.773048
H -5.259300 -1.786401 0.280927
H -4.574495 -1.755517 -1.348447
H 4.679457 -0.475085 -2.001878
H 4.893051 1.144080 -1.205457
H 7.175374 0.002969 -1.579930
H 6.818342 0.193596 0.150582
H 6.608766 -1.378093 -0.615758


%chk=000181008-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181008

0 1
Br -0.973782 3.003254 0.744965
Cl -3.658540 1.488301 0.023458
O -2.884911 -1.821384 0.665667
O -1.743767 -1.371525 -1.317637
O 4.466697 -0.308386 0.135072
C -1.245897 -0.047464 0.692301
C -1.989945 1.308964 0.817422
C -1.875370 0.420860 2.032945
C 0.253407 -0.086467 0.525420
C -1.967474 -1.123570 -0.112122
C 0.844051 0.208797 -0.726601
C 1.093291 -0.458779 1.606301
C 2.242032 0.150503 -0.901582
C 2.488615 -0.524108 1.446895
C 3.069841 -0.216460 0.190889
C -3.679604 -2.883271 -0.035566
C -4.922687 -2.280967 -0.694394
C 5.129162 -0.002717 -1.150214
C 6.628142 -0.182078 -0.927091
H -2.779923 -0.093393 2.366106
H -1.196446 0.748295 2.825409
H 0.204259 0.477818 -1.572405
H 0.652871 -0.707785 2.578517
H 2.668506 0.388938 -1.879986
H 3.145749 -0.811733 2.272980
H -3.024009 -3.371397 -0.777586
H -3.933722 -3.587126 0.772834
H -5.522438 -3.087806 -1.155145
H -5.553063 -1.760384 0.046477
H -4.639355 -1.566381 -1.484609
H 4.751923 -0.693973 -1.931577
H 4.887292 1.037555 -1.450151
H 7.179333 0.033312 -1.860492
H 6.989532 0.502416 -0.140884
H 6.854432 -1.216558 -0.617415


