%chk=000046273.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046273

0 1
 O   0.5727000       1.985300      0.5561000    
 N   -1.741700      0.2765000      0.4285000    
 C  -0.4266000     -0.1518000     -2.6699999E-02
 C   0.6813000      0.5751000      0.7453000    
 C   -2.796000     -0.3928000     -0.3243000    
 C   -4.169300      5.7599999E-02  0.1707000    
 C   -5.290500     -0.6169000     -0.6206000    
 C    2.055000      0.1405000      0.2838000    
 C   -6.661000     -0.2008000     -0.1106000    
 C    2.668600     -0.9335000      0.9054000    
 C    2.669000      0.8259000     -0.7505000    
 C    3.934900      -1.334400      0.4798000    
 C    3.935400      0.4248000      -1.176100    
 C    4.568300     -0.6554000     -0.5609000    
 H  -0.3161000      -1.235300      0.1052000    
 H  -0.3262000      6.7900002E-02  -1.097800    
 H   0.5739000      0.3894000       1.821700    
 H   -2.710300      -1.479600     -0.2045000    
 H   -2.702300     -0.1636000      -1.392900    
 H   -4.262500       1.146900      7.5400002E-02
 H   -4.275800     -0.1832000       1.236100    
 H   -1.830300       1.287000      0.3246000    
 H   -5.196300      -1.706500     -0.5455000    
 H   -5.206300     -0.3561000      -1.682100    
 H   -7.447100     -0.6937000     -0.6910000    
 H   -6.789700     -0.4788000      0.9403000    
 H   -6.800700      0.8813000     -0.1997000    
 H    2.181800      -1.469200       1.715200    
 H    2.191700       1.659600      -1.256700    
 H    1.249100       2.412800       1.109400    
 H    4.427500      -2.175900      0.9583000    
 H    4.427400      0.9510000      -1.989000    
 H    5.553800     -0.9683000     -0.8931000    


%chk=000046273-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046273

0 1
O 0.446515 1.968004 0.588770
N -1.731738 0.183889 0.342436
C -0.390563 -0.138335 -0.170989
C 0.683731 0.508753 0.720381
C -2.847766 -0.382679 -0.442108
C -4.209471 0.005677 0.166391
C -5.407805 -0.557378 -0.630686
C 2.098328 0.123918 0.307964
C -6.770379 -0.159813 -0.023077
C 2.812251 -0.862725 1.031929
C 2.708473 0.727599 -0.821726
C 4.110891 -1.250579 0.630306
C 4.007486 0.344105 -1.221909
C 4.711952 -0.647839 -0.498942
H -0.248693 -1.236409 -0.157057
H -0.217001 0.202742 -1.223191
H 0.492258 0.195146 1.768433
H -2.746808 -1.487545 -0.439038
H -2.824491 -0.065739 -1.517600
H -4.289244 1.113009 0.209657
H -4.246105 -0.354016 1.213242
H -1.824183 1.202169 0.467730
H -5.330096 -1.663072 -0.673853
H -5.351869 -0.200089 -1.679403
H -7.611627 -0.575512 -0.607838
H -6.864483 -0.529850 1.015300
H -6.886949 0.940221 0.002166
H 2.350551 -1.328568 1.911949
H 2.161607 1.502150 -1.370878
H 1.110988 2.450728 1.141902
H 4.653953 -2.014314 1.198427
H 4.471739 0.816287 -2.095358
H 5.720248 -0.944137 -0.809529


