%chk=000049148.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049148

0 1
 O   0.2657000     -0.3744000      -2.412700    
 O  -0.5510000      0.2603000       2.167700    
 O    2.917300       2.420700      7.9599999E-02
 N    1.648800      0.9449000      -1.144300    
 N    1.241300       1.261500       1.143900    
 C   0.1151000     -0.5925000     -2.3000001E-03
 C   0.9877000      -1.818100      0.3228000    
 C   -1.339600      -1.043300     -0.1993000    
 C   0.6455000      6.9999998E-04  -1.303800    
 C   0.2000000      0.3469000       1.196400    
 C   0.5415000      -2.450700       1.635600    
 C   0.9256000      -2.828100     -0.8167000    
 C   -2.204000      0.1122000     -0.5838000    
 C    2.010600       1.587600      3.3500001E-02
 C   -3.261500      0.5159000      0.1351000    
 C   -4.143100       1.656600     -0.2519000    
 H    2.036700      -1.512800      0.4399000    
 H   -1.448600      -1.769000      -1.011600    
 H   -1.758400      -1.512700      0.6966000    
 H  -0.4861000      -2.821100       1.626400    
 H    1.168000      -3.329600       1.836500    
 H   0.6833000      -1.798300       2.500700    
 H  -6.2899999E-02  -3.269900     -0.9645000    
 H    1.586200      -3.671400     -0.5754000    
 H    1.296300      -2.440900      -1.768000    
 H   -1.986100      0.6297000      -1.514200    
 H    2.116400       1.257900      -1.990500    
 H    1.408500       1.807700       1.984200    
 H   -3.512200      3.1000001E-03   1.059900    
 H   -5.172600       1.306700     -0.3745000    
 H   -3.828500       2.126000      -1.189400    
 H   -4.130000       2.419600      0.5324000    


%chk=000049148-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049148

0 1
O 0.187503 -0.394437 -2.432862
O -0.504776 0.269267 2.258169
O 2.885412 2.494484 -0.002939
N 1.604673 0.925953 -1.175523
N 1.228142 1.288158 1.124868
C 0.048503 -0.630822 0.022140
C 1.007309 -1.885347 0.368130
C -1.444771 -1.052681 -0.139733
C 0.572191 -0.029298 -1.293007
C 0.187631 0.338036 1.211149
C 0.495804 -2.680917 1.593838
C 1.213454 -2.838661 -0.833835
C -2.347175 0.075723 -0.605889
C 1.980717 1.623523 -0.013733
C -3.261808 0.695889 0.185104
C -4.181023 1.809477 -0.262423
H 1.996183 -1.451491 0.628314
H -1.483582 -1.882325 -0.868729
H -1.794156 -1.427065 0.836380
H -0.409785 -3.261138 1.342139
H 1.274663 -3.400742 1.904874
H 0.260481 -2.034013 2.455210
H 0.255368 -3.250587 -1.196985
H 1.841317 -3.687878 -0.507929
H 1.714600 -2.354003 -1.687825
H -2.242324 0.381204 -1.657050
H 2.053068 1.236034 -2.043971
H 1.409345 1.854565 1.960016
H -3.349374 0.379631 1.236151
H -5.243656 1.523359 -0.136932
H -4.018849 2.068677 -1.323601
H -4.025189 2.722626 0.344782


