Geometry
Free Energy
tensormol01 - STP
0.0004966123840606171 Ha
Geometry Optimization
tensormol02
Energy: -227.80632969935493 Ha
1 O -3.764748 3.028169 0.000000
2 C -4.278439 4.106959 0.000000
3 C -3.428741 5.402355 0.000000
4 O -3.942433 6.481146 0.000000
5 H -5.368954 4.271844 0.000000
6 H -2.338226 5.237471 0.000000
of 2
Harmonic Spectra
tensormol01
C2H2O2
Atomic Coordinates
indices
1 O -3.735035 3.037055 0.000000
2 C -4.272101 4.132765 0.000000
3 C -3.435079 5.376550 0.000000
4 O -3.972146 6.472259 0.000000
5 H -5.359222 4.304721 0.000000
6 H -2.347958 5.204595 0.000000