%chk=000229305.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229305

0 1
Br -5.192477 1.813547 -1.590831
O 0.947451 -2.252003 -0.597942
O 4.581302 1.989638 -0.728406
O 5.472516 0.213509 0.312157
N -0.841078 -1.343420 1.360302
N 0.508890 -0.952053 1.232043
C -1.791174 -0.597230 0.558679
C -3.003901 -1.236036 0.225615
C -1.593598 0.757140 0.237631
C -4.015651 -0.515805 -0.407711
C -2.607962 1.472281 -0.403609
C -3.808359 0.832180 -0.717844
C 1.343144 -1.437234 0.210459
C 2.743337 -0.912888 0.274718
C 3.080697 0.292785 -0.181642
C 4.490061 0.749629 -0.142000
H -3.160615 -2.287830 0.462465
H -0.662054 1.260037 0.485562
H -0.923002 -2.368874 1.193325
H -4.957028 -1.007998 -0.661508
H -2.455234 2.524386 -0.652870
H 0.799224 -0.266569 1.931833
H 3.473835 -1.623884 0.687771
H 2.371829 1.004820 -0.620256
H 5.514648 2.341671 -0.736842


%chk=000229305-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229305

0 1
Br -5.444991 1.640309 -1.691104
O 0.949434 -2.434484 -0.595080
O 4.709257 2.125501 0.145092
O 5.531938 0.004534 -0.369505
N -0.765550 -1.192834 1.244456
N 0.567118 -0.809137 1.038917
C -1.803142 -0.542817 0.519748
C -3.097602 -1.127982 0.519422
C -1.598544 0.694822 -0.140647
C -4.170327 -0.488404 -0.132669
C -2.672300 1.338514 -0.793347
C -3.949371 0.744193 -0.783043
C 1.372942 -1.464793 0.098629
C 2.776887 -0.961309 -0.018513
C 3.155125 0.338237 0.137003
C 4.569091 0.745300 -0.064454
H -3.269564 -2.084828 1.026366
H -0.604165 1.150274 -0.159447
H -0.878494 -2.201831 1.388053
H -5.162879 -0.947749 -0.133191
H -2.507596 2.290852 -1.305717
H 0.978156 -0.187660 1.739412
H 3.518174 -1.708616 -0.328228
H 2.451662 1.141588 0.381533
H 5.659542 2.388120 0.007413


