%chk=000293239.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293239

0 1
Br -5.077228 -4.145070 0.312352
O 0.376376 -0.533091 -1.460635
O 7.376466 -0.154509 -0.720680
O 7.048144 -1.161954 1.165884
N 0.342699 0.781604 0.434120
N 6.656259 -0.601313 0.156054
C -2.041208 0.094980 0.518167
C -3.403580 0.458451 0.499033
C -1.064626 1.111266 0.405944
C -3.778602 1.813239 0.392417
C -1.435029 2.469727 0.287986
C -2.792610 2.803274 0.294349
C -4.454534 -0.568506 0.614821
C -1.630401 -1.333305 0.645014
C -5.222392 2.199664 0.381828
C -0.405142 3.546041 0.164267
C -4.829414 -1.392389 -0.378735
C 0.963532 -0.002400 -0.537854
C 2.453350 -0.146438 -0.329289
C -5.900894 -2.412136 -0.151706
C -4.233129 -1.387953 -1.746754
C 3.318623 0.336315 -1.319389
C 2.950947 -0.788917 0.811461
C 4.698223 0.188962 -1.165245
C 4.328816 -0.944133 0.972900
C 5.190334 -0.446707 -0.015886
H -3.088147 3.847669 0.211854
H -4.918555 -0.614812 1.602942
H -1.231148 -1.700786 -0.320332
H -0.844660 -1.472321 1.397519
H -2.460169 -2.001903 0.916281
H 0.891249 1.264885 1.142747
H -5.700621 1.966038 1.344317
H -5.376487 3.269357 0.192852
H -5.774703 1.649514 -0.394898
H 0.141999 3.690140 1.105858
H 0.328402 3.315744 -0.621983
H -0.847945 4.517804 -0.096460
H -6.513916 -2.591020 -1.053367
H -6.580835 -2.157048 0.679843
H -4.956332 -1.059093 -2.503904
H -3.360479 -0.719505 -1.823129
H -3.883207 -2.391336 -2.034327
H 2.913658 0.812168 -2.216425
H 2.266793 -1.179713 1.567240
H 5.394254 0.557769 -1.927523
H 4.741270 -1.447055 1.855071


%chk=000293239-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293239

0 1
Br -5.352570 -4.305891 0.099952
O 0.333077 -0.374041 -1.549174
O 7.324808 -0.896533 -1.090777
O 7.174683 -0.670576 1.174696
N 0.295282 0.850140 0.451628
N 6.653137 -0.700933 -0.006288
C -2.084414 0.129358 0.451783
C -3.468565 0.496819 0.439626
C -1.107613 1.167816 0.474965
C -3.846847 1.872530 0.555849
C -1.469002 2.540839 0.568580
C -2.842305 2.862202 0.626028
C -4.552795 -0.517466 0.372815
C -1.648363 -1.319645 0.530323
C -5.309688 2.279917 0.583370
C -0.415247 3.633475 0.593232
C -4.745277 -1.478203 -0.589433
C 0.933755 0.104627 -0.540195
C 2.419728 -0.089284 -0.345657
C -5.929080 -2.384382 -0.466376
C -3.871661 -1.666994 -1.811680
C 3.203154 -0.322888 -1.505889
C 3.042654 -0.086018 0.931272
C 4.591461 -0.520891 -1.405982
C 4.431534 -0.287832 1.050000
C 5.186040 -0.493638 -0.124591
H -3.136774 3.915840 0.700499
H -5.312315 -0.450004 1.168460
H -1.327215 -1.696500 -0.457518
H -0.779242 -1.424271 1.205371
H -2.461159 -1.963276 0.901443
H 0.895266 1.379242 1.089400
H -5.825260 1.890918 1.483312
H -5.415200 3.377811 0.588580
H -5.857172 1.885060 -0.292029
H 0.202435 3.604990 1.514539
H 0.275742 3.550807 -0.266459
H -0.885348 4.629871 0.555264
H -6.443794 -2.576940 -1.419602
H -6.636065 -2.093028 0.323405
H -4.495843 -1.704429 -2.725196
H -3.132855 -0.859018 -1.926374
H -3.326540 -2.628841 -1.758786
H 2.695878 -0.354557 -2.474814
H 2.444979 0.029102 1.842255
H 5.215967 -0.695162 -2.285754
H 4.934029 -0.298924 2.020527


