%chk=000179288.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179288

0 1
Br -5.251082 -0.280810 0.800393
N 1.614111 0.471916 -0.693442
N 2.625183 2.416573 -0.103605
C 1.860473 -2.005594 -0.159799
C 1.443445 -0.901684 -1.189644
C 3.355060 -1.891703 0.171443
C 1.025316 -1.878132 1.120476
C 1.582073 -3.364566 -0.829719
C 0.641602 1.270486 -0.063439
C 2.812155 1.207974 -0.688376
C -0.755641 0.893245 0.131438
C 1.293032 2.464611 0.288606
C -1.596456 0.669799 -0.971780
C -1.267562 0.781776 1.435591
C -2.935329 0.321750 -0.775604
C -2.605712 0.435539 1.637677
C -3.422407 0.204507 0.528146
H 2.040798 -1.020232 -2.122012
H 0.377454 -1.056846 -1.475606
H 3.980843 -1.927847 -0.725017
H 3.678272 -2.711276 0.824129
H 3.583980 -0.959973 0.703376
H 1.222896 -0.931759 1.639149
H 1.251277 -2.684784 1.826240
H -0.050186 -1.915570 0.914630
H 2.158420 -3.496524 -1.750698
H 1.854072 -4.191559 -0.162754
H 0.522535 -3.492451 -1.074741
H 3.737981 0.848463 -1.108115
H 0.877684 3.328579 0.776827
H -1.208379 0.785761 -1.983819
H -0.617076 0.968585 2.291022
H -3.587232 0.151361 -1.633735
H -3.001099 0.349885 2.651161


%chk=000179288-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179288

0 1
Br -5.475385 -0.081212 0.739375
N 1.591608 0.479271 -0.661564
N 2.628826 2.380387 0.046556
C 1.945170 -2.033258 -0.205294
C 1.474080 -0.900501 -1.178531
C 3.469574 -1.945278 0.059244
C 1.175373 -1.954467 1.137072
C 1.622581 -3.376814 -0.914376
C 0.615811 1.239942 0.029360
C 2.775820 1.214825 -0.614973
C -0.808397 0.890415 0.176622
C 1.291205 2.395231 0.456295
C -1.605642 0.465259 -0.923230
C -1.439273 1.037131 1.442918
C -2.977852 0.174909 -0.764963
C -2.812915 0.762728 1.615159
C -3.567194 0.323651 0.507592
H 2.064734 -0.960729 -2.112741
H 0.418561 -1.084791 -1.438465
H 4.046183 -1.989033 -0.885105
H 3.794840 -2.792201 0.690997
H 3.738011 -1.013177 0.587351
H 1.397045 -1.014613 1.674216
H 1.468248 -2.795839 1.791977
H 0.081790 -2.008290 0.981369
H 2.143468 -3.456529 -1.887797
H 1.947930 -4.227551 -0.288555
H 0.536264 -3.486552 -1.094027
H 3.697801 0.867449 -1.074856
H 0.871657 3.249304 0.984035
H -1.167082 0.406072 -1.925551
H -0.843107 1.357906 2.303848
H -3.578094 -0.143073 -1.622251
H -3.281138 0.878928 2.596692


