%chk=000278057.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278057

0 1
Br -0.699433 0.781041 0.004250
S -7.428101 0.203914 -1.817014
F -8.479228 -0.682417 -1.028527
O -0.124095 -1.178747 2.373509
O -2.777848 1.140500 3.067007
O -7.967302 1.526655 -1.707585
O -7.299731 -0.481823 -3.069577
N 4.565003 0.183985 -0.394956
N 6.456730 1.803964 -0.674341
N 6.731535 -0.574774 -1.171033
N 5.043312 -2.166152 -0.788027
N 8.604534 0.883909 -1.029419
N -2.497911 -0.453086 1.403935
C 5.005762 1.675460 -0.513247
C 4.307048 2.240047 -1.759844
C 4.602090 2.411150 0.767742
C 3.364651 -0.144053 0.322633
C 5.473919 -0.822799 -0.798030
C 7.211873 0.758565 -0.962687
C 2.139808 0.398628 -0.113156
C 3.407366 -0.991818 1.449758
C 0.970740 0.096192 0.580396
C 2.236576 -1.291143 2.140053
C 1.020820 -0.744972 1.702028
C -0.788403 -0.183495 3.186763
C -3.704032 -0.270659 0.677348
C -2.121865 0.249337 2.573392
C -6.018532 0.023546 -0.870214
C -3.959878 -1.166462 -0.390352
C -4.608215 0.773280 0.958035
C -5.111642 -1.009759 -1.150847
C -5.755242 0.910571 0.184107
H 4.616204 3.283819 -1.918398
H 4.582203 1.690241 -2.667677
H 3.214420 2.222372 -1.671799
H 5.051556 3.417936 0.769933
H 3.520800 2.532941 0.869841
H 4.984087 1.909598 1.665796
H 2.118124 1.056394 -0.991924
H 4.361613 -1.411281 1.782008
H 2.246920 -1.946245 3.013057
H 5.691998 -2.828973 -1.211068
H 4.075562 -2.349853 -1.020281
H 8.973254 1.815479 -1.168741
H 9.110623 0.143696 -1.496876
H -0.150189 0.700841 3.371070
H -0.966001 -0.716887 4.144996
H -1.928534 -1.285906 1.157174
H -3.262603 -1.969567 -0.621494
H -4.413491 1.469390 1.783433
H -5.308281 -1.698375 -1.983202
H -6.455975 1.728096 0.400455


%chk=000278057-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000278057

0 1
Br 0.037800 2.076109 -1.148876
S -8.754688 -0.934138 -0.693477
F -8.984812 -2.604657 0.097503
O -0.437818 -0.205579 0.988512
O -3.135395 1.128257 3.027958
O -9.763373 0.052678 0.075760
O -8.838724 -1.193766 -2.278253
N 5.068372 0.299581 -0.362416
N 7.237007 1.311733 0.285551
N 7.126759 -0.852435 -0.862983
N 5.090922 -1.856660 -1.385196
N 9.099619 -0.109123 0.137177
N -3.010553 0.009351 0.946763
C 5.876324 1.616438 -0.189055
C 5.959354 2.332477 -1.565376
C 5.205378 2.507358 0.873093
C 3.682126 0.181921 -0.032724
C 5.794258 -0.788904 -0.863553
C 7.776141 0.176604 -0.138552
C 2.712890 1.021845 -0.647623
C 3.252941 -0.780637 0.923494
C 1.357252 0.912909 -0.287131
C 1.891042 -0.895089 1.258416
C 0.930592 -0.042585 0.666953
C -0.946177 0.641157 2.094884
C -4.366449 -0.183025 0.608520
C -2.479520 0.614830 2.077790
C -6.997953 -0.634004 -0.169361
C -4.646128 -0.845168 -0.621968
C -5.434506 0.258061 1.442468
C -5.971656 -1.081821 -1.020548
C -6.765745 0.023900 1.050257
H 6.600997 3.224616 -1.464267
H 6.413723 1.666028 -2.319821
H 4.965000 2.656475 -1.924625
H 5.881733 3.357808 1.055580
H 4.224490 2.896661 0.553566
H 5.091137 1.956266 1.821899
H 3.021582 1.741012 -1.409998
H 3.996199 -1.426177 1.400910
H 1.549811 -1.639297 1.985364
H 5.640226 -2.651543 -1.703670
H 4.095988 -1.803447 -1.586190
H 9.662228 0.574307 0.635443
H 9.476754 -1.009851 -0.141240
H -0.604461 1.686944 1.972203
H -0.592483 0.256099 3.068845
H -2.291927 -0.345330 0.299934
H -3.822784 -1.177486 -1.264355
H -5.209349 0.769497 2.379990
H -6.201489 -1.585438 -1.964163
H -7.600059 0.357539 1.674995


