%chk=000120964.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120964

0 1
 Br   4.566000      -2.569400       1.033100    
 O   -5.484200      -1.891100     -0.8383000    
 O   -7.049300     -5.9000002E-03  0.4743000    
 N   0.6998000      0.8382000      0.4005000    
 N    3.470400      0.2351000      5.5100001E-02
 C    1.164200      0.1422000     -0.8056000    
 C    1.523300      0.4466000       1.551300    
 C    2.623000      0.4891000      -1.113900    
 C    2.993300      0.8048000       1.321600    
 C  -0.7096000      0.5410000      0.6537000    
 C   -1.588000       1.029700     -0.4986000    
 C    4.849400      6.4900003E-02 -0.1111000    
 C   -3.046900      0.7494000     -0.2397000    
 C    5.519600      -1.118500      0.2657000    
 C    5.616600       1.104400     -0.6755000    
 C   -3.595100     -0.4519000     -0.6628000    
 C   -3.816300       1.698300      0.4164000    
 C    6.896100      -1.254800      8.5500002E-02
 C    6.993100      0.9681000     -0.8557000    
 C   -4.944800     -0.7107000     -0.4241000    
 C    7.632900     -0.2115000     -0.4752000    
 C   -5.166000       1.439700      0.6552000    
 C   -5.730200      0.2351000      0.2350000    
 C   -5.440900      -2.981100      8.0499999E-02
 C   -7.976200      0.4084000     -0.5274000    
 H   0.6078000      0.4386000      -1.698100    
 H    1.059400     -0.9454000     -0.6937000    
 H    1.433800     -0.6311000       1.743700    
 H    1.181900      0.9686000       2.453500    
 H    2.957300     -0.1194000      -1.963300    
 H    2.703900       1.543300      -1.408300    
 H    3.118000       1.895100       1.299500    
 H    3.583200      0.4260000       2.165200    
 H  -0.8626000     -0.5346000      0.8178000    
 H   -1.027100       1.047900       1.574600    
 H   -1.345700      0.5487000      -1.451500    
 H   -1.443500       2.106400     -0.6592000    
 H    5.141000       2.036100     -0.9746000    
 H   -2.985400      -1.191800      -1.174900    
 H   -3.385500       2.638300      0.7491000    
 H    7.412400      -2.166200      0.3759000    
 H    7.567100       1.780900      -1.290900    
 H   -5.771600       2.180400       1.170200    
 H    8.704700     -0.3173000     -0.6152000    
 H   -5.991700      -2.737000      0.9944000    
 H   -4.404600      -3.237300      0.3229000    
 H   -5.913800      -3.846400     -0.3920000    
 H   -8.982700      0.1411000     -0.1944000    
 H   -7.773900     -0.1018000      -1.474400    
 H   -7.930000       1.493000     -0.6673000    


%chk=000120964-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120964

0 1
Br 4.913889 -2.198144 1.812072
O -5.577702 -1.794308 -0.925243
O -7.168962 0.090769 0.660631
N 0.757767 0.691671 0.315220
N 3.596735 0.187096 0.035216
C 1.351363 0.282632 -0.982131
C 1.554731 0.135910 1.440991
C 2.815859 0.746503 -1.087808
C 3.017915 0.589968 1.344414
C -0.676959 0.337982 0.439634
C -1.596589 1.162067 -0.500574
C 5.003389 0.080954 -0.097452
C -3.066446 0.884328 -0.222185
C 5.779898 -0.866793 0.639955
C 5.723482 0.895173 -1.026253
C -3.679779 -0.302448 -0.696758
C -3.841681 1.773935 0.565097
C 7.177721 -0.962531 0.503863
C 7.118164 0.785743 -1.192794
C -5.027836 -0.596183 -0.406034
C 7.858718 -0.132555 -0.416581
C -5.199798 1.501699 0.840235
C -5.808509 0.328788 0.346424
C -6.034780 -2.756389 0.104899
C -8.070682 0.029483 -0.513693
H 0.777893 0.742730 -1.806255
H 1.317505 -0.829392 -1.112437
H 1.526915 -0.982631 1.454366
H 1.122662 0.503222 2.390514
H 3.241981 0.384068 -2.039793
H 2.836004 1.862222 -1.090863
H 3.060123 1.699137 1.445790
H 3.600628 0.145046 2.164866
H -0.852874 -0.754104 0.258504
H -0.981241 0.540687 1.484319
H -1.364610 0.921525 -1.555630
H -1.365657 2.232283 -0.348772
H 5.170997 1.640861 -1.606714
H -3.118164 -1.026008 -1.298889
H -3.384157 2.692628 0.950744
H 7.727099 -1.704578 1.090963
H 7.627217 1.431910 -1.916532
H -5.813396 2.193078 1.427020
H 8.943919 -0.220152 -0.528744
H -6.792644 -2.298824 0.766098
H -5.173962 -3.104174 0.707193
H -6.466578 -3.600822 -0.453738
H -9.066163 -0.204345 -0.106244
H -7.746570 -0.753893 -1.222413
H -8.094236 1.010378 -1.025496


