%chk=000228611.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228611

0 1
Br -5.069914 -0.877170 0.000161
O 0.114479 -2.448884 0.000405
N 0.222444 -1.217836 0.000166
N 0.470494 1.635910 -0.000337
C -0.908815 -0.393830 0.000043
C 1.480968 -0.602221 -0.000049
C -0.748632 1.036395 -0.000157
C 1.574005 0.831907 -0.000311
C -2.226751 -0.971879 0.000101
C 2.680209 -1.397071 -0.000010
C -1.941345 1.856107 -0.000152
C 2.885951 1.431547 -0.000547
C -3.311660 -0.147081 0.000058
C -3.177426 1.284381 -0.000020
C 3.900373 -0.787399 -0.000230
C 4.001221 0.645294 -0.000508
H -2.304666 -2.066669 0.000260
H 2.567318 -2.486397 0.000244
H -1.800713 2.940783 -0.000187
H 2.938667 2.522940 -0.000734
H -4.082375 1.899024 0.000058
H 4.820131 -1.371950 -0.000176
H 4.998437 1.090802 -0.000679


%chk=000228611-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228611

0 1
Br -5.114472 -0.924378 0.000457
O 0.103468 -2.522690 0.000231
N 0.223393 -1.205664 0.000067
N 0.479429 1.684133 -0.000348
C -0.919119 -0.377475 0.000033
C 1.495466 -0.592898 -0.000098
C -0.742689 1.061288 -0.000191
C 1.576747 0.855313 -0.000298
C -2.207410 -0.980179 0.000218
C 2.661977 -1.406705 -0.000070
C -1.935077 1.865008 -0.000238
C 2.888993 1.440716 -0.000453
C -3.320033 -0.144131 0.000173
C -3.200542 1.284587 -0.000061
C 3.916178 -0.792151 -0.000224
C 4.028953 0.638997 -0.000415
H -2.276858 -2.069736 0.000389
H 2.539684 -2.492365 0.000074
H -1.805327 2.950968 -0.000418
H 2.944826 2.533245 -0.000600
H -4.100212 1.905899 -0.000100
H 4.823106 -1.405753 -0.000200
H 5.021919 1.100675 -0.000530


