%chk=000130057.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130057

0 1
 Br  0.6471000       3.892100      0.2253000    
 O   -2.945500      -3.073300      0.6153000    
 N   0.3642000       1.067100      0.8966000    
 N    2.259300       1.585700     -0.1567000    
 N    4.342300     -0.5316000     -0.8087000    
 N   0.6868000      -1.323500       1.182300    
 N    2.819700      -2.048400      0.2434000    
 N   -4.159800      -1.641300     -0.8261000    
 C  -0.9277000       1.223000       1.523400    
 C    1.057000     -0.1029000      0.7668000    
 C    2.229000      0.2403000      0.1119000    
 C   -2.044700       1.048200      0.5304000    
 C    3.128600     -0.7887000     -0.1482000    
 C    1.126500       2.051900      0.3264000    
 C   -2.579300     -0.2149000      0.3171000    
 C   -2.525000       2.153000     -0.1595000    
 C   -3.614500     -0.3766000     -0.6039000    
 C   -3.560000       1.991400      -1.080400    
 C    1.635500      -2.234800      0.8750000    
 C   -4.104800      0.7267000      -1.302500    
 C    4.999100      0.7560000     -0.6726000    
 C    4.968500      -1.553800      -1.628000    
 C   -3.802200      -2.845500     -0.2272000    
 H  -0.9764000       2.202100       2.012300    
 H   -1.006900      0.4870000       2.333200    
 H   -2.164900      -1.032400      0.8901000    
 H   -2.144200       3.150700      2.1299999E-02
 H   -3.947600       2.851700      -1.618500    
 H    1.420700      -3.255200       1.173700    
 H   -4.912400      0.6159000      -2.021700    
 H    4.927900       1.141600      0.3506000    
 H    4.572400       1.485000      -1.368900    
 H    6.068400      0.6760000     -0.8994000    
 H    5.411400      -2.330800     -0.9963000    
 H    5.762100      -1.136400      -2.257000    
 H    4.236000      -2.019600      -2.296500    
 H   -4.911300      -1.685900      -1.510700    
 H   -4.432400      -3.657600     -0.6288000    


%chk=000130057-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130057

0 1
Br 0.133509 3.502222 -0.914417
O -1.509784 -2.089617 -1.891616
N 0.317621 1.169908 0.814072
N 2.017343 1.318347 -0.719571
N 4.285981 -0.965282 -0.722057
N 0.990265 -0.887251 1.995948
N 3.052589 -1.850793 1.088282
N -3.662440 -1.112207 -1.785842
C -0.909219 1.450638 1.574838
C 1.157717 0.066866 1.040495
C 2.206802 0.166132 0.082539
C -2.199903 1.217137 0.792164
C 3.203916 -0.872428 0.120060
C 0.899027 1.869560 -0.252192
C -2.286816 0.161196 -0.142992
C -3.323530 2.037034 1.050770
C -3.509007 -0.070445 -0.824669
C -4.540984 1.795206 0.376652
C 1.996477 -1.810921 1.944955
C -4.639245 0.749007 -0.559906
C 4.552315 -0.007126 -1.808820
C 5.245770 -2.075956 -0.600729
C -2.714813 -2.018276 -2.250978
H -0.874191 2.487789 1.953988
H -0.865453 0.766637 2.444487
H -1.428471 -0.480723 -0.352685
H -3.248085 2.862810 1.768042
H -5.412270 2.428835 0.573714
H 1.948580 -2.619863 2.680196
H -5.584770 0.570984 -1.088114
H 3.797691 0.791673 -1.818503
H 4.537386 -0.530232 -2.785328
H 5.555574 0.442766 -1.675024
H 6.264901 -1.678597 -0.429545
H 5.254402 -2.675798 -1.531599
H 4.946510 -2.711513 0.244181
H -4.595781 -1.200846 -2.197191
H -3.156712 -2.704671 -3.010105


