%chk=000268995.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268995

0 1
Br 0.122096 -3.839174 2.226091
O -0.794465 -0.324216 1.512131
O -2.950900 -0.818487 -0.827241
O -2.793890 1.441147 -0.415459
O 0.578780 2.983328 0.625014
O -0.361291 3.631494 2.580392
N 0.367996 -1.889847 0.187086
N 2.216629 -3.254620 0.502193
N 1.312283 -0.459483 -1.660833
N 3.583073 -1.111018 -2.305099
N 4.758494 -2.881903 -1.267320
C -1.549311 -0.540855 -0.765226
C -1.439295 0.969205 -0.421403
C -0.955953 -1.285183 0.461924
C -0.839164 1.039541 0.998292
C -3.716588 0.321569 -0.320216
C 0.585596 1.596217 1.050322
C -4.109506 0.075168 1.120872
C -4.847817 0.570423 -1.291616
C 1.352401 -1.464459 -0.727154
C 0.986920 -2.958996 0.898367
C 2.486774 -2.331756 -0.527879
C 3.626215 -2.123133 -1.362188
C 0.074110 3.934179 1.496673
C 2.451673 -0.350693 -2.402050
C 0.180845 5.269066 0.850789
H -1.140914 -0.848177 -1.748673
H -0.911456 1.598456 -1.165430
H -1.648751 -2.058532 0.881679
H -1.511500 1.573364 1.713426
H 1.269843 1.135889 0.313067
H 1.006191 1.516238 2.069966
H -4.556484 0.972466 1.568418
H -4.833458 -0.744023 1.205105
H -3.240342 -0.191822 1.741329
H -4.470151 1.012932 -2.225815
H -5.349341 -0.370125 -1.557591
H -5.595613 1.258991 -0.881278
H 2.468256 0.443814 -3.169704
H -0.820498 5.691525 0.664989
H 0.709126 5.230234 -0.115918
H 0.716491 5.977653 1.502439
H 4.818202 -3.627167 -0.588690
H 5.547094 -2.712232 -1.872978


%chk=000268995-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268995

0 1
Br -0.160113 -4.152223 1.976472
O -0.670871 -0.245738 1.532201
O -2.915339 -0.853022 -0.872795
O -2.833861 1.461692 -0.476064
O 0.482365 3.203387 0.518555
O -0.089730 3.852532 2.687685
N 0.419636 -1.935679 0.156832
N 2.088294 -3.525697 0.291108
N 1.516237 -0.378025 -1.459510
N 3.728008 -1.184222 -2.173399
N 4.676830 -3.197327 -1.378778
C -1.490581 -0.522070 -0.749356
C -1.434495 1.007248 -0.426426
C -0.845644 -1.241716 0.469363
C -0.790804 1.136665 0.976256
C -3.719521 0.281329 -0.320706
C 0.601296 1.792147 0.979872
C -4.066959 0.026446 1.155472
C -4.934543 0.478376 -1.220261
C 1.458505 -1.505380 -0.692566
C 0.883049 -3.150174 0.716860
C 2.464460 -2.500966 -0.599129
C 3.639331 -2.308875 -1.383355
C 0.111092 4.150182 1.489842
C 2.687014 -0.301303 -2.167253
C -0.011295 5.520727 0.864088
H -1.004063 -0.787572 -1.697701
H -0.884489 1.590467 -1.178453
H -1.535239 -2.011016 0.854201
H -1.460849 1.690159 1.656160
H 1.271317 1.319966 0.246508
H 1.023674 1.765076 1.998376
H -4.617131 0.891797 1.564049
H -4.707177 -0.869225 1.237580
H -3.160779 -0.133700 1.764508
H -4.604870 0.655667 -2.255987
H -5.575711 -0.418894 -1.194126
H -5.523318 1.345674 -0.876274
H 2.804821 0.578057 -2.807135
H -0.942202 5.572953 0.270790
H 0.830150 5.712674 0.178904
H -0.046638 6.286517 1.652510
H 4.630816 -4.033156 -0.799394
H 5.491727 -3.006758 -1.958720


