%chk=000247127.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247127

0 1
Br 0.396767 -3.261038 0.049968
O 0.416969 0.829197 0.008507
O 6.652478 -0.287348 -0.162811
C -1.196803 -0.790046 0.052608
C -0.971623 0.572263 0.044758
C 1.057750 -0.422976 -0.004073
C 0.105843 -1.417939 0.027794
C -2.477882 -1.495067 0.066090
C -1.799298 1.767558 0.070214
C 2.506147 -0.356313 -0.031607
C -2.757615 -2.429927 1.076103
C -3.429761 -1.241873 -0.936143
C 3.251328 -1.322219 -0.742892
C 3.171953 0.676261 0.650560
C -3.093623 1.719108 0.616616
C -1.304529 2.977704 -0.449626
C 4.636973 -1.263405 -0.761035
C 4.565263 0.753951 0.643592
C 5.284628 -0.221000 -0.061346
C -3.982074 -3.102749 1.081188
C -4.650560 -1.920042 -0.923877
C -3.883814 2.870598 0.633560
C -2.101232 4.123516 -0.426141
C -4.929067 -2.849754 0.083670
C -3.391199 4.071862 0.113385
C 7.436249 0.726831 0.513131
H -2.017939 -2.630011 1.851202
H -3.210016 -0.521268 -1.722890
H 2.734382 -2.116432 -1.286923
H 2.588573 1.425310 1.191648
H -3.479288 0.784213 1.026889
H -0.297738 3.011948 -0.868224
H 5.233599 -1.997376 -1.299181
H 5.065237 1.555099 1.176968
H -4.197002 -3.828443 1.863836
H -5.385629 -1.725778 -1.703085
H -4.887205 2.830848 1.055500
H -1.717184 5.059077 -0.829969
H -5.880460 -3.377618 0.089393
H -4.010968 4.966773 0.128875
H 7.267883 0.680158 1.592796
H 7.210894 1.715969 0.104619
H 8.460595 0.421078 0.261255


%chk=000247127-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247127

0 1
Br 0.312894 -3.412997 -0.051638
O 0.427483 0.731058 0.086102
O 6.789460 -0.294925 0.005551
C -1.224425 -0.857242 0.065099
C -0.972554 0.519147 0.105504
C 1.081756 -0.525074 0.041485
C 0.077086 -1.497196 0.034084
C -2.546483 -1.530197 -0.002051
C -1.792214 1.729766 0.189393
C 2.541999 -0.471838 0.031521
C -2.932384 -2.483478 0.977458
C -3.445035 -1.237546 -1.063477
C 3.357664 -1.622731 -0.187927
C 3.194975 0.775584 0.243942
C -3.132571 1.690789 0.669672
C -1.238366 2.986885 -0.191076
C 4.757130 -1.525624 -0.188907
C 4.598721 0.882917 0.243034
C 5.388808 -0.274770 0.026964
C -4.189730 -3.122579 0.901362
C -4.702049 -1.875004 -1.138081
C -3.895415 2.873172 0.752244
C -2.005988 4.165418 -0.101712
C -5.079622 -2.820176 -0.155292
C -3.340262 4.116288 0.366503
C 7.490476 0.973697 0.222764
H -2.249051 -2.715882 1.801254
H -3.150761 -0.510428 -1.828319
H 2.896665 -2.597181 -0.365210
H 2.588145 1.668865 0.417178
H -3.570004 0.740687 0.988662
H -0.207810 3.026053 -0.557308
H 5.383382 -2.406463 -0.358644
H 5.060327 1.859930 0.414021
H -4.473968 -3.853453 1.666577
H -5.382303 -1.639422 -1.964088
H -4.923855 2.824964 1.127017
H -1.564910 5.122840 -0.400877
H -6.054287 -3.317384 -0.214291
H -3.936991 5.032612 0.433370
H 7.262206 1.393061 1.221834
H 7.233165 1.714177 -0.559292
H 8.559701 0.724376 0.160497


