%chk=000047633.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047633

0 1
 O   -4.530600     -0.5149000     -6.0500000E-02
 O   -2.139400       2.771100     -0.1261000    
 O   4.9899999E-02   2.630100     -4.8400000E-02
 N    1.239300      0.3514000      9.0899996E-02
 N    4.848900     -0.4054000      0.2389000    
 N   -1.085000       2.089600     -6.2100001E-02
 N   -3.657300      0.5591000     -7.9599999E-02
 N   -3.859900      -1.723600      1.5000000E-02
 C    2.403000     -0.4652000      0.1659000    
 C    3.647300      0.4131000      0.1352000    
 C  -7.5099997E-02 -0.1916000      7.1099997E-02
 C   -1.177900      0.6787000     -3.5000001E-03
 C   -2.427900      3.2800000E-02 -1.5799999E-02
 C  -0.2006000      -1.604500      0.1297000    
 C   -2.556600      -1.418200      4.4100001E-02
 C    6.047000      0.4360000      0.2490000    
 C    4.914400      -1.367900     -0.8624000    
 C   -1.439600      -2.270600      0.1185000    
 H    2.402800      -1.058100       1.089200    
 H    2.396300      -1.141300     -0.6946000    
 H    3.655700       1.022400     -0.7792000    
 H    3.605300       1.113200      0.9801000    
 H    1.344000       1.357000      5.5500001E-02
 H   0.6719000      -2.251600      0.1901000    
 H    6.157700       1.008900     -0.6789000    
 H    6.946200     -0.1746000      0.3878000    
 H    6.015800       1.140100       1.087900    
 H    4.194500      -2.182500     -0.7371000    
 H    5.893500      -1.862600     -0.8777000    
 H    4.767400     -0.8975000      -1.841500    
 H   -1.516400      -3.349500      0.1645000    


%chk=000047633-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047633

0 1
O -4.707862 -0.447594 0.193839
O -2.137415 2.777003 -0.454209
O 0.136465 2.546779 -0.481542
N 1.182715 0.219770 -0.076635
N 4.889910 -0.448910 0.060707
N -1.085468 2.040470 -0.352842
N -3.780059 0.679367 -0.035071
N -4.018578 -1.680949 0.394062
C 2.406563 -0.586585 0.052907
C 3.642913 0.337010 -0.017332
C -0.094110 -0.241863 0.034556
C -1.231993 0.634323 -0.094650
C -2.553868 0.080947 0.039361
C -0.316576 -1.665556 0.292659
C -2.708991 -1.344600 0.299127
C 6.020436 0.308843 0.638801
C 5.257749 -1.099510 -1.215222
C -1.574628 -2.213726 0.423189
H 2.429792 -1.124898 1.019371
H 2.452374 -1.344268 -0.754388
H 3.586277 0.964698 -0.943627
H 3.610816 1.029707 0.843820
H 1.232597 1.244661 -0.270774
H 0.560885 -2.310320 0.382793
H 6.354641 1.166135 0.003476
H 6.882632 -0.367733 0.775066
H 5.739186 0.703294 1.630747
H 4.431691 -1.732176 -1.583562
H 6.131689 -1.754497 -1.054663
H 5.515580 -0.366263 -2.019722
H -1.720766 -3.279658 0.615757


