%chk=000049007.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049007

0 1
 O   0.5022000      0.7890000     -9.7300000E-02
 O    2.094300       2.213600     -0.9311000    
 N   -2.302500      0.6780000     -0.4720000    
 C   -3.625300      0.1610000     -0.1705000    
 C   -4.284600     -0.5077000      -1.370700    
 C   -3.598200     -0.9652000      0.8558000    
 C   -5.399900      -1.344100     -0.7493000    
 C   -4.956900      -1.640000      0.6862000    
 C   -1.701800       1.299300      0.7021000    
 C  -0.3278000       1.861100      0.3457000    
 C   0.3283000       2.517900       1.552900    
 C    1.780000       1.124900     -0.4613000    
 C    2.705200      1.7700000E-02 -0.2151000    
 C    3.826900     -0.1339000      -1.022200    
 C    2.453300     -0.8713000      0.8236000    
 C    4.708700      -1.189000     -0.7875000    
 C    3.335300      -1.926300       1.058100    
 C    4.462900      -2.085000      0.2525000    
 H   -4.278500      0.9716000      0.1817000    
 H   -3.578700      -1.167700      -1.891200    
 H   -4.667000      0.2143000      -2.099200    
 H   -3.461600     -0.6141000       1.883400    
 H   -2.801100      -1.686500      0.6338000    
 H   -5.574600      -2.262100      -1.319400    
 H   -6.339600     -0.7798000     -0.7382000    
 H   -5.683300      -1.220400       1.391800    
 H   -4.894200      -2.715700      0.8796000    
 H   -2.364900       1.357900      -1.229200    
 H   -1.567700      0.5562000       1.496300    
 H   -2.342200       2.103900       1.082800    
 H  -0.4347000       2.596100     -0.4628000    
 H  -0.3345000       3.268800       1.995500    
 H   0.5702000       1.775100       2.321600    
 H    1.263400       3.024600       1.296700    
 H    4.030200      0.5547000      -1.837800    
 H    1.590200     -0.7653000       1.475100    
 H    5.586500      -1.313000      -1.414900    
 H    3.145800      -2.622600       1.869800    
 H    5.149800      -2.906100      0.4356000    


%chk=000049007-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049007

0 1
O 0.795458 1.243358 0.900031
O 0.787954 1.277348 -1.438402
N -1.924990 0.716728 -0.094578
C -3.294149 0.177130 -0.169785
C -3.517879 -0.629774 -1.478928
C -3.630057 -0.851157 0.942658
C -4.617212 -1.692940 -1.150118
C -4.881582 -1.572359 0.386142
C -1.653159 1.613321 1.038237
C -0.276344 2.292828 0.929074
C 0.045001 3.191110 2.125420
C 1.213887 0.797404 -0.354673
C 2.242724 -0.278960 -0.250890
C 2.792416 -0.793805 -1.453623
C 2.673713 -0.791053 1.000328
C 3.767798 -1.810675 -1.405449
C 3.650251 -1.808525 1.043738
C 4.199093 -2.319459 -0.156745
H -4.062116 0.994771 -0.113260
H -2.562524 -1.121954 -1.742279
H -3.801769 0.023480 -2.324071
H -3.807339 -0.389424 1.931180
H -2.775394 -1.549254 1.035279
H -4.258101 -2.706581 -1.404405
H -5.541990 -1.525172 -1.730872
H -5.781701 -0.954119 0.569647
H -5.055257 -2.552400 0.864972
H -1.588381 1.097669 -0.989186
H -1.693417 1.033749 1.981498
H -2.408442 2.439193 1.136015
H -0.209066 2.851821 -0.024745
H -0.699028 4.004542 2.202375
H 0.028738 2.612589 3.066027
H 1.044471 3.643738 2.013045
H 2.442027 -0.383829 -2.406608
H 2.238211 -0.388408 1.918776
H 4.191302 -2.206712 -2.334810
H 3.983200 -2.204340 2.009458
H 4.957253 -3.109974 -0.119574


