%chk=000046396.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046396

0 1
 Cl  -3.848800      -1.001600      2.6000000E-03
 O    1.470600       1.423500     -1.5000000E-03
 N    1.368400     -0.8793000     -7.6000001E-03
 N    3.492200      0.2968000      6.6000000E-03
 C   7.8900002E-02 -0.4092000     -4.1000000E-03
 C   0.1512000      0.9783000     -1.9000000E-03
 C    2.204200      0.2227000     -8.9999998E-04
 C   -1.145300      -1.043500     -2.4000001E-03
 C  -0.9658000       1.787800      1.3000000E-03
 C    1.701200      -2.280600      4.8000002E-03
 C   -2.298000     -0.2496000      8.9999998E-04
 C   -2.208700       1.154600      2.4999999E-03
 H   -1.212500      -2.126800     -3.8000001E-03
 H  -0.8870000       2.868300      3.1000001E-03
 H    1.317200      -2.763800      0.9095000    
 H    2.786100      -2.427000     -1.5400000E-02
 H    1.282200      -2.788800     -0.8702000    
 H   -3.110200       1.762900      4.9999999E-03
 H    3.766100       1.285500      1.0500000E-02


%chk=000046396-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046396

0 1
Cl -3.984960 -1.039171 -0.000091
O 1.458361 1.440670 0.001789
N 1.355458 -0.855130 -0.000612
N 3.547895 0.133475 0.003173
C 0.032049 -0.383310 0.000397
C 0.097593 1.035534 0.001030
C 2.260767 0.223603 0.001693
C -1.202733 -1.054051 0.000179
C -1.039775 1.841450 0.001081
C 1.782563 -2.252789 0.004986
C -2.352811 -0.228303 0.000138
C -2.299870 1.180659 0.000498
H -1.283438 -2.143744 0.000450
H -0.972252 2.932150 0.001574
H 1.429348 -2.768199 0.917090
H 2.883623 -2.262203 -0.013631
H 1.397799 -2.783231 -0.885259
H -3.225311 1.762536 0.000508
H 4.057694 1.030253 0.004008


