%chk=000241801.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241801

0 1
Br 5.318023 3.358721 -0.074030
Br 4.087202 -3.962144 0.563603
N 2.807060 -0.006998 -0.263073
C -0.835163 -0.680885 -0.320132
C -1.965548 -1.634033 -0.639119
C -1.358381 0.565968 0.143089
C -3.197721 -0.820400 -0.313709
C -2.821603 0.481619 0.148141
C 1.409950 0.156986 -0.071320
C 0.523730 -0.898542 -0.426771
C -0.491231 1.590822 0.491143
C 0.890669 1.387092 0.387197
C 3.749517 0.987388 0.319542
C 3.368809 -1.369271 -0.435096
C -4.529675 -1.179636 -0.410774
C -3.790078 1.407109 0.506671
C -5.506934 -0.233484 -0.044332
C -5.143485 1.034804 0.405388
C 4.090265 1.997762 -0.778133
C 3.362839 -2.167005 0.871357
H -1.909727 -2.557908 -0.032993
H -1.949583 -1.949650 -1.699731
H 0.900287 -1.849471 -0.792333
H -0.873966 2.547677 0.844044
H 1.554954 2.202117 0.664321
H 3.307943 1.501709 1.206525
H 4.674177 0.487945 0.688223
H 2.781093 -1.901666 -1.223315
H 4.404021 -1.278780 -0.839736
H -4.825500 -2.164879 -0.760108
H -3.516484 2.398040 0.857948
H -6.559132 -0.502722 -0.115809
H -5.913723 1.752080 0.683628
H 4.583081 1.519604 -1.642493
H 3.191580 2.520796 -1.153586
H 3.979528 -1.695283 1.654842
H 2.340610 -2.288481 1.275832


%chk=000241801-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241801

0 1
Br 5.271428 3.477323 -0.220465
Br 4.251499 -4.096670 0.091565
N 2.837213 -0.047118 0.020862
C -0.852625 -0.691764 -0.205252
C -1.985998 -1.668063 -0.506631
C -1.391803 0.576086 0.165540
C -3.235416 -0.822913 -0.273214
C -2.862144 0.499339 0.123439
C 1.432909 0.149939 0.068646
C 0.530046 -0.914126 -0.251862
C -0.510145 1.628700 0.489437
C 0.882520 1.419065 0.437957
C 3.776193 1.020386 0.405186
C 3.417899 -1.322376 -0.430965
C -4.589346 -1.176684 -0.397511
C -3.852736 1.469420 0.396534
C -5.583287 -0.201941 -0.123315
C -5.214873 1.108785 0.270051
C 4.024554 1.972549 -0.781773
C 3.498774 -2.322206 0.739996
H -1.956152 -2.553840 0.158227
H -1.934792 -2.051329 -1.544805
H 0.902749 -1.905217 -0.529126
H -0.891549 2.615155 0.776246
H 1.540068 2.258005 0.683381
H 3.398555 1.583728 1.276326
H 4.734153 0.567357 0.715766
H 2.830084 -1.751932 -1.261108
H 4.433076 -1.140764 -0.826120
H -4.880454 -2.189061 -0.701550
H -3.577474 2.485763 0.700800
H -6.643478 -0.462939 -0.215967
H -5.994991 1.850009 0.477822
H 4.530899 1.472965 -1.621551
H 3.104569 2.466753 -1.126115
H 4.185717 -1.986374 1.531487
H 2.511762 -2.559008 1.162964


