%chk=000154217.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154217

0 1
 Br   4.546500       3.790900     -0.4654000    
 Cl   4.528100      -2.739800     -8.1699997E-02
 O   -2.669500       2.788000      0.4009000    
 O   -1.686800      -3.631400      0.6548000    
 N   -4.107400      0.3881000      0.7006000    
 N    1.445400      0.3929000      8.1500001E-02
 N   4.3499999E-02  -2.055000      0.3782000    
 N    2.137800     -0.7489000      7.0500001E-02
 N    2.092300       1.552700     -5.8899999E-02
 N    7.014700     -0.8952000     -0.4692000    
 N   -6.280000     -0.8947000      -3.444500    
 C   -2.704300      0.3935000      0.5433000    
 C   -4.949800     -0.2894000     -0.2638000    
 C   -4.721500       1.071700       1.820400    
 C   6.1200000E-02  0.3744000      0.2384000    
 C   -2.010500       1.594700      0.3975000    
 C  -0.6253000     -0.8268000      0.3834000    
 C   -2.011700     -0.8173000      0.5363000    
 C  -0.6241000       1.585300      0.2446000    
 C   -4.759900      0.2973000      -1.658600    
 C   -4.648900      0.2065000       3.063900    
 C    3.397800     -0.3149000     -9.6400000E-02
 C    3.368800       1.152600     -0.1791000    
 C    4.595900      -1.047700     -0.1882000    
 C    4.537400       1.917000     -0.3549000    
 C    5.747500     -0.2587000     -0.3638000    
 C  -0.5049000      -3.335400      0.5106000    
 C    5.719500       1.159400     -0.4434000    
 C   -1.879100       3.964400      0.2459000    
 C   -5.610000     -0.3697000      -2.655900    
 C   0.5572000      -4.404500      0.4529000    
 H   -6.007500     -0.2137000      2.0900000E-02
 H   -4.729300      -1.364500     -0.2709000    
 H   -4.252500       2.037000       2.033500    
 H   -5.772700       1.297900       1.604700    
 H   -2.605800      -1.709000      0.6694000    
 H  -6.2100001E-02   2.503700      0.1292000    
 H   -3.716000      0.2067000      -1.980800    
 H   -4.989700       1.369800      -1.643600    
 H   -5.135200     -0.7612000       2.900600    
 H   -3.611700      1.5100000E-02   3.358200    
 H   -5.150400      0.7018000       3.901300    
 H    1.049200      -2.035100      0.2662000    
 H    6.664500       1.687300     -0.5804000    
 H   -1.381300       3.993400     -0.7295000    
 H   -1.181500       4.097600       1.080100    
 H   -2.566200       4.816800      0.2727000    
 H    1.069200      -4.365700     -0.5127000    
 H   9.8499998E-02  -5.389900      0.5725000    
 H    1.282200      -4.251000       1.257300    
 H    7.073300      -1.903600     -0.4176000    
 H    7.851300     -0.3417000     -0.5963000    


%chk=000154217-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154217

0 1
Br 4.798833 3.797306 0.315289
Cl 4.783862 -2.798053 -0.419694
O -2.584961 3.021670 0.589850
O -1.891421 -3.473974 -0.217746
N -4.155997 0.629299 0.555550
N 1.528525 0.429236 0.135248
N -0.046255 -2.014025 -0.069731
N 2.272435 -0.739835 -0.038676
N 2.257435 1.592265 0.220991
N 7.225442 -0.929180 -0.352318
N -6.658683 -2.619770 -2.161771
C -2.750596 0.589978 0.461835
C -4.940971 -0.555757 0.152069
C -4.854855 1.543939 1.504167
C 0.107161 0.427578 0.226652
C -1.926232 1.780117 0.502676
C -0.677218 -0.764633 0.130740
C -2.081758 -0.646295 0.260528
C -0.533701 1.677907 0.407595
C -4.895857 -0.776356 -1.391916
C -4.939022 0.969955 2.938104
C 3.571670 -0.286658 -0.067018
C 3.559534 1.154106 0.094071
C 4.784788 -0.987861 -0.216933
C 4.789718 1.860460 0.100447
C 6.007692 -0.281214 -0.209409
C -0.637311 -3.264572 -0.231574
C 5.984327 1.157983 -0.047424
C -1.760019 4.233206 0.541297
C -5.859754 -1.798999 -1.826210
C 0.360041 -4.401760 -0.432891
H -5.987773 -0.372798 0.447772
H -4.623315 -1.484712 0.666627
H -4.327392 2.507031 1.510931
H -5.871699 1.724068 1.107057
H -2.637727 -1.583300 0.221532
H 0.104604 2.562183 0.442921
H -3.881398 -1.077662 -1.708896
H -5.130261 0.179902 -1.895351
H -5.484947 0.009166 2.966515
H -3.928533 0.804072 3.352457
H -5.469455 1.680268 3.599199
H 0.993914 -1.941327 -0.110418
H 6.937295 1.696392 -0.042750
H -1.182817 4.282797 -0.401605
H -1.068471 4.284776 1.403992
H -2.475733 5.067186 0.586242
H 0.135975 -4.911715 -1.385776
H 0.226051 -5.144563 0.372888
H 1.411041 -4.066045 -0.441039
H 7.252101 -1.939859 -0.466269
H 8.097887 -0.410224 -0.345127


