%chk=000050534.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050534

0 1
 Br  -4.918400      -6.010600      0.2757000    
 Cl   6.676100       2.212500       1.999100    
 O   -2.496000       4.570600     -6.8599999E-02
 N    1.357500     -0.7835000     -0.6655000    
 N  -0.6209000     -0.6185000      0.6561000    
 N   0.1922000      -2.707600      4.6999999E-03
 C    3.407000     -0.8290000      -2.011500    
 C    2.285700      -1.663100      -1.381100    
 C    4.219900     -7.2899997E-02  -1.015800    
 C   0.3423000      -1.326600     -6.2100001E-02
 C   -1.097100      0.7004000      0.4722000    
 C    5.353600     -0.6583000     -0.4523000    
 C    3.845600       1.219200     -0.6464000    
 C  -0.9922000      -3.473000      6.6900000E-02
 C  -0.7330000       1.420900     -0.6654000    
 C   -1.931000       1.280700       1.428000    
 C    6.113000      4.8000000E-02  0.4803000    
 C    4.604900       1.925700      0.2861000    
 C   -2.037000       3.301700      0.1087000    
 C    5.738700       1.340100      0.8496000    
 C   -1.203000       2.721500     -0.8472000    
 C   -2.401000       2.581300       1.246300    
 C  -0.9751000      -4.737500      0.6555000    
 C   -2.179600      -2.964800     -0.4597000    
 C   -2.145400      -5.493900      0.7174000    
 C   -3.350000      -3.721100     -0.3978000    
 C   -3.332900      -4.985600      0.1907000    
 C   -3.769000       4.885300      0.4939000    
 C   -4.392300       5.977100     -0.3106000    
 C   -5.562800       5.861100     -0.9474000    
 H    4.060200      -1.489700      -2.596000    
 H    2.975500     -0.1272000      -2.737600    
 H    2.744100      -2.385000     -0.6943000    
 H    1.762700      -2.207100      -2.176600    
 H   -1.110400      -1.123400       1.390300    
 H    5.654300      -1.665100     -0.7300000    
 H    2.965700       1.688800      -1.078500    
 H    1.013600      -3.292100     -0.1151000    
 H  -0.1120000       1.001800      -1.449300    
 H   -2.216800      0.7320000       2.321900    
 H    6.993800     -0.4209000      0.9116000    
 H    4.301400       2.931800      0.5640000    
 H  -0.9218000       3.276100      -1.738300    
 H   -3.024800       3.005000       2.027700    
 H  -5.6000002E-02  -5.143700       1.070400    
 H   -2.220000      -1.996900     -0.9512000    
 H   -2.115200      -6.477100       1.179800    
 H   -4.265600      -3.313400     -0.8185000    
 H   -3.629100       5.236500       1.522700    
 H   -4.436200       4.013400      0.4992000    
 H   -3.856400       6.920600     -0.3729000    
 H   -5.963500       6.694000      -1.514900    
 H   -6.138700       4.942900     -0.9166000    


%chk=000050534-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050534

0 1
Br -4.823035 -6.717968 0.118206
Cl 7.244402 2.719065 1.340829
O -2.640719 4.526742 -0.426650
N 1.230519 -0.909047 -0.354731
N -0.960409 -0.795011 0.574491
N 0.073377 -2.904229 0.375853
C 3.294040 -0.891265 -1.753284
C 2.329504 -1.744178 -0.890854
C 4.256807 -0.004389 -0.971457
C 0.170536 -1.496286 0.149760
C -1.347082 0.549120 0.316817
C 5.644414 -0.027126 -1.266192
C 3.800895 0.870740 0.051900
C -1.073156 -3.736441 0.318079
C -0.557747 1.471197 -0.425982
C -2.599728 0.976086 0.828836
C 6.561764 0.794968 -0.571236
C 4.701911 1.697699 0.759230
C -2.280891 3.196869 -0.138066
C 6.070871 1.647472 0.433945
C -1.030227 2.775637 -0.651602
C -3.069767 2.288198 0.610245
C -1.038965 -4.992843 0.984819
C -2.238274 -3.383571 -0.420320
C -2.134415 -5.877580 0.919589
C -3.342928 -4.260222 -0.471976
C -3.285193 -5.499765 0.197045
C -3.908417 5.023254 0.147992
C -4.018245 6.482938 -0.202848
C -5.120484 7.051430 -0.748683
H 3.881280 -1.574077 -2.397152
H 2.668007 -0.274775 -2.428057
H 2.920046 -2.210601 -0.068507
H 1.932253 -2.574038 -1.519027
H -1.605401 -1.327861 1.161415
H 6.022181 -0.694028 -2.050799
H 2.733916 0.889444 0.295542
H 0.958862 -3.367860 0.584360
H 0.413543 1.146698 -0.802374
H -3.221798 0.276972 1.403356
H 7.629726 0.770193 -0.806912
H 4.343507 2.369013 1.545387
H -0.432049 3.492775 -1.222342
H -4.042088 2.577543 1.019133
H -0.153323 -5.279352 1.564509
H -2.276991 -2.441838 -0.975249
H -2.092080 -6.841107 1.435340
H -4.230895 -3.980536 -1.046323
H -3.876189 4.887760 1.251650
H -4.766707 4.448027 -0.255137
H -3.135504 7.090860 0.036443
H -5.168279 8.126730 -0.950953
H -6.006774 6.459960 -1.010460


