%chk=000197483.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197483

0 1
Br -3.377407 0.970425 -2.144939
O 0.073745 -1.522169 -2.231507
O 1.207027 1.252418 -2.658555
N 2.019212 2.366048 -0.885285
N 3.691337 -2.555462 0.664897
C 0.498389 0.296572 -0.557478
C 1.517224 -0.751765 -0.062947
C -0.532201 -0.453800 -1.510622
C -0.318118 0.981939 0.523002
C 2.700904 -0.245038 0.761876
C 1.239211 1.340344 -1.436703
C -1.741235 -0.989199 -0.761510
C 3.386712 -1.378190 1.545953
C -0.356808 0.509841 1.842539
C -1.097866 2.102266 0.177661
C -3.035936 -0.495542 -0.957948
C -1.576537 -2.057222 0.139837
C -1.147481 1.151797 2.801347
C -1.889706 2.736648 1.135381
C 2.652770 3.321663 -1.832214
C 1.940399 2.868663 0.501116
C -1.914267 2.265902 2.452827
C 4.734749 -2.223834 -0.350327
C 4.141559 -3.711516 1.499663
C -4.140405 -1.042803 -0.295260
C -2.667222 -2.614074 0.806426
C -3.953727 -2.108264 0.587371
H 1.928922 -1.283060 -0.957053
H 0.975081 -1.534099 0.513049
H -0.803511 0.229774 -2.361472
H 3.433411 0.253956 0.094584
H 2.371049 0.536290 1.482284
H 4.288740 -0.973796 2.054488
H 2.702378 -1.731413 2.349143
H 0.217537 -0.369652 2.130852
H -1.093120 2.476550 -0.847468
H 0.286175 -2.291319 -1.662047
H -0.571113 -2.445414 0.327932
H -1.169494 0.774391 3.822291
H -2.496683 3.595684 0.852414
H 3.707122 3.475139 -1.556035
H 2.133346 4.291947 -1.843314
H 2.626422 2.914107 -2.864602
H 2.861427 3.417491 0.759148
H 1.844340 2.033755 1.224681
H 1.082112 3.548279 0.645640
H -2.533132 2.760505 3.198212
H 4.359758 -1.418507 -1.004304
H 5.702683 -1.908978 0.064327
H 4.901806 -3.102630 -0.993626
H 4.313378 -4.579178 0.841929
H 5.058298 -3.536497 2.080901
H 3.335345 -3.991605 2.195222
H -5.142573 -0.644958 -0.463745
H -2.518427 -3.442364 1.497884
H -4.808497 -2.542242 1.104083


%chk=000197483-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197483

0 1
Br -3.267951 0.791598 -2.615185
O 0.078140 -1.781840 -1.973278
O 1.303968 0.902002 -2.591493
N 1.988265 2.276392 -0.870424
N 4.001189 -2.439705 0.501127
C 0.484607 0.205889 -0.375027
C 1.492023 -0.832527 0.223002
C -0.541479 -0.602841 -1.345195
C -0.356398 0.979680 0.655115
C 2.697728 -0.329373 1.045187
C 1.281389 1.166725 -1.346029
C -1.874520 -1.013574 -0.712700
C 3.561806 -1.503516 1.562555
C -0.451029 0.592018 2.016576
C -1.123782 2.097156 0.227857
C -3.132172 -0.542451 -1.166971
C -1.907593 -1.998534 0.315359
C -1.267747 1.303789 2.923255
C -1.944167 2.808104 1.127788
C 2.711906 3.102579 -1.860800
C 2.059877 2.818711 0.496010
C -2.017543 2.418630 2.485589
C 4.871763 -1.811196 -0.512847
C 4.603058 -3.664783 1.062752
C -4.354880 -1.002467 -0.631828
C -3.112823 -2.476955 0.863476
C -4.345970 -1.974828 0.390560
H 1.891169 -1.417020 -0.622105
H 0.932167 -1.554759 0.852377
H -0.721791 0.053883 -2.206822
H 3.317313 0.351049 0.433014
H 2.376084 0.249651 1.932106
H 4.437477 -1.079293 2.124290
H 2.970539 -2.092035 2.293203
H 0.108966 -0.275732 2.380578
H -1.080556 2.411704 -0.821791
H 0.021781 -2.553717 -1.352939
H -0.960490 -2.398519 0.697685
H -1.322043 0.983243 3.970164
H -2.528763 3.662772 0.768622
H 3.786378 3.158631 -1.600230
H 2.300327 4.130791 -1.876146
H 2.595168 2.645305 -2.853461
H 3.119797 2.942394 0.793728
H 1.563818 2.169717 1.223214
H 1.569666 3.811990 0.537450
H -2.652306 2.970686 3.187615
H 4.337346 -0.997935 -1.033183
H 5.815593 -1.389133 -0.080438
H 5.148408 -2.562743 -1.273107
H 4.835026 -4.372880 0.247044
H 5.549083 -3.477054 1.633826
H 3.885596 -4.153692 1.746660
H -5.300967 -0.609645 -1.015074
H -3.091588 -3.233672 1.654936
H -5.293760 -2.334867 0.804352


