%chk=000215299.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215299

0 1
Br 5.954773 1.704569 -2.380581
F -5.739775 0.628687 -0.190194
F -4.567397 0.586411 -1.944621
F -4.397274 -0.963662 -0.515887
O 2.077241 -1.132332 1.284961
O 1.562971 2.347007 1.475293
N 0.327292 1.087511 -0.022039
N -0.618268 -3.374119 0.771464
N 0.287638 -2.111149 -0.885148
N -1.472619 -3.195296 -0.268914
N -0.914211 -2.429287 -1.254557
C 2.713204 0.770059 0.068082
C -0.994819 1.462422 0.356667
C 2.942249 -0.590975 0.351492
C -3.376837 1.121363 0.070156
C 1.520526 1.491256 0.618843
C -2.062605 0.812530 -0.296230
C 3.629360 1.458367 -0.735973
C -1.256141 2.432858 1.345017
C 4.029138 -1.283067 -0.202597
C -3.644730 2.080477 1.050603
C -2.574257 2.733277 1.677068
C 4.719508 0.770806 -1.274966
C 4.920684 -0.592660 -1.023059
C -4.492682 0.378198 -0.619416
C 1.750662 -2.538634 1.202060
C 0.505459 -2.690966 0.396210
H -1.864065 0.083156 -1.083494
H 0.398309 0.372258 -0.760414
H 3.479658 2.524386 -0.937913
H -0.425669 2.943428 1.849542
H 4.182769 -2.339198 0.009992
H -4.665239 2.331995 1.337189
H -2.777779 3.487167 2.440067
H 5.774627 -1.117538 -1.460238
H 1.579218 -2.796866 2.273166
H 2.584839 -3.138025 0.787465
H -2.419857 -3.578416 -0.282896


%chk=000215299-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215299

0 1
Br 6.831630 2.043690 -0.211930
F -5.773172 1.023609 -0.300591
F -4.350523 -0.667396 -0.825206
F -4.970914 -0.330801 1.325654
O 1.610956 -1.253454 -0.086864
O 1.620959 2.940336 0.626255
N 0.274893 1.057861 0.245489
N -0.056023 -4.495665 0.008304
N -0.914568 -2.396966 -0.360856
N -1.424392 -4.463110 0.038700
N -1.983049 -3.215610 -0.171607
C 2.746236 0.874795 0.083199
C -1.015108 1.632570 0.405910
C 2.822308 -0.531422 -0.148608
C -3.435484 1.278736 0.319731
C 1.500299 1.703993 0.348692
C -2.126408 0.777603 0.178113
C 3.956445 1.613988 0.062490
C -1.236356 2.989398 0.774373
C 4.062020 -1.160042 -0.409146
C -3.668038 2.625648 0.687358
C -2.557690 3.466024 0.906995
C 5.184084 0.982802 -0.190517
C 5.252089 -0.403052 -0.433428
C -4.599512 0.351529 0.125854
C 1.630496 -2.680550 -0.411269
C 0.228524 -3.183766 -0.249509
H -1.958836 -0.263345 -0.118654
H 0.307396 0.049226 0.033972
H 3.878599 2.688812 0.252479
H -0.379443 3.642841 0.942195
H 4.124705 -2.235896 -0.592563
H -4.689555 3.003689 0.785665
H -2.719240 4.512247 1.186586
H 6.209109 -0.891736 -0.635538
H 2.300427 -3.235945 0.272215
H 1.985235 -2.822178 -1.452452
H -1.992198 -5.292467 0.214710


