Information about    tropo_6768.xyz
No. of atoms
Total energy (hartree)
Cartesian coordinate of atoms_i (in Angstroms), component of grad (hartree/bohr)

15
   -420.55106188
H   -2.60062519    0.44215171    0.00000000   -0.00000432    0.00000091    0.00000000
O   -2.00174252    1.23777114    0.00000000   -0.00000454    0.00000048    0.00000000
O   -1.96045533   -1.26869811    0.00000000   -0.00000320   -0.00000128    0.00000000
C   -0.77209622    0.71362392    0.00000000   -0.00000277   -0.00000169    0.00000000
C   -0.80938652   -0.77150055    0.00000000   -0.00000432    0.00000062    0.00000000
C    0.30606185    1.57374901    0.00000000   -0.00001452    0.00000539    0.00000000
C    0.37223276   -1.59158365    0.00000000   -0.00000393    0.00001883    0.00000000
C    1.68672623    1.27068973    0.00000000   -0.00000391    0.00000073    0.00000000
C    1.70361997   -1.23883893    0.00000000    0.00000121   -0.00000430    0.00000000
H    0.04051816    2.62895004    0.00000000   -0.00001392   -0.00001923    0.00000000
H    0.13817219   -2.65403129    0.00000000   -0.00000917   -0.00002097    0.00000000
H    2.34121716    2.14056512    0.00000000   -0.00000130   -0.00000166    0.00000000
H    2.39924967   -2.07717333    0.00000000   -0.00001382   -0.00000059    0.00000000
C    2.31371297    0.04067322    0.00000000   -0.00000472   -0.00000027    0.00000000
H    3.40129630    0.04832204    0.00000000   -0.00000204   -0.00000329    0.00000000