%chk=000229703.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229703

0 1
Br 5.968389 3.048562 0.562128
O 4.699205 -0.038087 -0.616294
O 4.892205 -0.081762 1.644430
C -2.751998 0.333274 0.064887
C -1.553479 -0.560781 -0.280869
C -4.080447 -0.410411 -0.128393
C -0.225926 0.184401 -0.088044
C -5.278985 0.483511 0.217663
C 0.972879 -0.709767 -0.432829
C -6.607367 -0.259911 0.024458
C 2.295587 0.040213 -0.241977
C -7.807204 0.633204 0.370410
C 3.484421 -0.855155 -0.572399
C -9.132247 -0.101748 0.180121
C 5.285059 0.310433 0.574866
C 6.465437 1.191830 0.273714
H -2.668108 0.687512 1.110584
H -2.736161 1.244525 -0.563657
H -1.638819 -0.915925 -1.325941
H -1.569918 -1.470900 0.349532
H -4.165269 -0.764731 -1.173781
H -4.097061 -1.321285 0.500686
H -0.142072 0.539503 0.957824
H -0.210538 1.095625 -0.716955
H -5.262800 1.394645 -0.410959
H -5.194657 0.837592 1.263245
H 0.885516 -1.067026 -1.477456
H 0.957617 -1.616807 0.203332
H -6.625303 -1.171081 0.652753
H -6.693485 -0.614668 -1.020499
H 2.384639 0.406749 0.802659
H 2.323791 0.948309 -0.877616
H -7.723405 0.987205 1.416594
H -7.791812 1.544477 -0.258973
H 3.626976 -1.667895 0.160439
H 3.463213 -1.252428 -1.603132
H -9.982158 0.543265 0.429370
H -9.196328 -0.990115 0.818668
H -9.264754 -0.433343 -0.855962
H 6.805740 1.085344 -0.777368
H 7.314725 0.949647 0.944441


%chk=000229703-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229703

0 1
Br 6.163115 3.034097 0.517265
O 4.828795 -0.002492 -0.660749
O 5.009669 -0.254658 1.658516
C -2.782381 0.352438 0.043821
C -1.551920 -0.524046 -0.280481
C -4.124651 -0.397506 -0.110191
C -0.210893 0.231502 -0.146818
C -5.356392 0.475655 0.218924
C 1.017256 -0.652611 -0.460069
C -6.699073 -0.271737 0.055669
C 2.352321 0.121367 -0.352365
C -7.931035 0.601527 0.385875
C 3.550690 -0.785895 -0.655545
C -9.268086 -0.152464 0.219040
C 5.426398 0.213679 0.574566
C 6.665762 1.072694 0.414011
H -2.694620 0.738047 1.081096
H -2.782946 1.243256 -0.619025
H -1.647649 -0.920959 -1.312993
H -1.544639 -1.407319 0.392280
H -4.213748 -0.779024 -1.149096
H -4.123087 -1.291174 0.548860
H -0.116894 0.636180 0.882029
H -0.214758 1.108516 -0.827248
H -5.355021 1.372529 -0.435863
H -5.270994 0.852173 1.259908
H 0.912384 -1.073870 -1.481823
H 1.030228 -1.516442 0.236774
H -6.702221 -1.169265 0.709554
H -6.786532 -0.647149 -0.985642
H 2.459636 0.540640 0.665794
H 2.351656 0.970983 -1.062139
H -7.843257 0.976086 1.426319
H -7.926987 1.498145 -0.267525
H 3.640599 -1.596693 0.090229
H 3.503279 -1.204749 -1.673996
H -10.132148 0.495449 0.455971
H -9.312793 -1.033263 0.887410
H -9.391635 -0.514456 -0.819300
H 7.135941 0.941014 -0.569239
H 7.361729 0.905793 1.245896


