%chk=000147322.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147322

0 1
 O   -3.657600      0.9622000      8.9999998E-04
 O   -3.420900      -1.220300       0.000000    
 N    2.593900      0.2835000       0.000000    
 N   -2.935300     -6.3500002E-02  3.0000001E-04
 C    1.222700      0.4064000     -1.9999999E-04
 C   0.6942000     -0.8862000       0.000000    
 C    1.795400      -1.787500      9.9999997E-05
 C    2.949600      -1.038500      9.9999997E-05
 C   0.4181000       1.551200     -6.9999998E-04
 C  -0.7058000      -1.046500     -3.0000001E-04
 C   -1.523000      8.9599997E-02 -3.9999999E-04
 C  -0.9676000       1.367800     -5.0000002E-04
 C    3.536400       1.381800      6.9999998E-04
 H    1.749600      -2.867900      1.9999999E-04
 H    3.987700      -1.342500      3.0000001E-04
 H   0.8446000       2.548800     -8.9999998E-04
 H   -1.114800      -2.053000     -9.9999997E-05
 H   -1.588600       2.261100     -5.0000002E-04
 H    3.368900       1.979300      0.9005000    
 H    4.556900      0.9904000      1.3000000E-03
 H    3.369900       1.979600     -0.8990000    


%chk=000147322-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147322

0 1
O -3.706791 1.001325 -0.000467
O -3.478077 -1.267412 -0.000675
N 2.626729 0.297934 0.000185
N -2.982403 -0.071689 -0.000063
C 1.237691 0.416758 0.000134
C 0.683610 -0.919356 0.000134
C 1.800280 -1.840702 0.000213
C 2.959198 -1.070981 0.000252
C 0.422661 1.574458 0.000066
C -0.718656 -1.084895 0.000059
C -1.513685 0.078674 0.000003
C -0.968546 1.396967 0.000002
C 3.573426 1.417137 0.000315
H 1.752948 -2.927589 0.000230
H 4.002528 -1.383063 0.000299
H 0.852196 2.581022 0.000052
H -1.196648 -2.067783 0.000044
H -1.654460 2.247324 -0.000044
H 3.439920 2.046568 0.898697
H 4.602098 1.024608 0.000539
H 3.440282 2.046495 -0.898173


