%chk=000001396.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001396

0 1
Br 0.835990 6.421361 -0.281462
S 4.888544 -1.977033 -0.155719
F -5.482082 -1.030861 0.370792
F -4.527742 -2.619356 -0.946624
F -4.346808 -2.764866 1.303430
O 5.120658 -2.838068 -1.518038
O 5.726952 -0.633478 0.223380
N -1.016262 -0.542666 0.034376
N -1.896825 -1.612705 0.037865
N 5.103593 -3.138192 1.251051
C -1.660590 0.696916 0.153235
C 0.381416 -0.857960 -0.003885
C -1.025347 2.025750 0.061732
C -3.013019 0.400204 0.261392
C -3.101438 -1.014272 0.178020
C 1.310841 -0.091939 0.737528
C 0.792583 -1.975022 -0.767361
C 3.059158 -1.539221 -0.074714
C 2.677173 -0.431630 0.696964
C 2.155562 -2.324830 -0.806952
C -1.452209 3.063637 0.934208
C -0.044854 2.322449 -0.925115
C -4.334005 -1.848812 0.224963
C -0.910239 4.362980 0.837744
C 0.507848 3.615660 -1.028685
C 0.070370 4.624721 -0.142760
H -3.832809 1.110437 0.331594
H 0.977605 0.750385 1.348505
H 0.044229 -2.558714 -1.309058
H 3.425136 0.154147 1.239836
H 2.510771 -3.166255 -1.409740
H -2.202001 2.850907 1.703679
H 0.279112 1.550871 -1.630719
H -1.242424 5.152214 1.517735
H 1.259059 3.833640 -1.792676
H 5.389312 -4.057134 0.874584
H 5.791141 -2.729368 1.905294


%chk=000001396-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001396

0 1
Br 0.839128 6.421389 -0.263173
S 4.895745 -1.992530 -0.170448
F -5.505772 -1.036072 0.428717
F -4.588732 -2.557608 -0.989149
F -4.350378 -2.815674 1.245548
O 5.100012 -2.920960 -1.492970
O 5.746463 -0.636201 0.124403
N -1.013643 -0.543936 0.032119
N -1.909008 -1.610927 0.035267
N 5.138314 -3.061751 1.303396
C -1.661799 0.697765 0.151837
C 0.388033 -0.863629 -0.007585
C -1.025311 2.026733 0.063633
C -3.031692 0.402316 0.261546
C -3.126596 -1.012251 0.177511
C 1.322051 -0.100519 0.734440
C 0.798213 -1.981266 -0.773558
C 3.067609 -1.550383 -0.082250
C 2.688748 -0.442943 0.691256
C 2.161842 -2.333592 -0.814317
C -1.457648 3.063384 0.933289
C -0.038292 2.323851 -0.915670
C -4.362077 -1.846630 0.215373
C -0.914979 4.362516 0.841696
C 0.515335 3.616765 -1.014508
C 0.072115 4.624900 -0.131365
H -3.848068 1.115433 0.333680
H 0.991838 0.741543 1.347079
H 0.049125 -2.562804 -1.315980
H 3.437519 0.140885 1.234899
H 2.516724 -3.174371 -1.418363
H -2.212362 2.850038 1.697819
H 0.290578 1.552711 -1.619410
H -1.251690 5.151169 1.520119
H 1.271999 3.835083 -1.772995
H 5.308041 -4.030024 0.984949
H 5.917012 -2.668512 1.857566


