1,3-butadiene C4H6

Orbital data (ISO value 0.1)

Orbital 14 cis		trans
	PGV [486KB] WRL [604KB]		PGV [449KB] WRL [558KB]
Orbital 15 (HOMO) cis		trans
	PGV [495KB] WRL [615KB]		PGV [459KB] WRL [571KB]
Orbital 16 (LUMO) cis		trans
	PGV [472KB] WRL [587KB]		PGV [443KB] WRL [550KB]

Gaussian outputs

cis optimize	trans optimize
cis frequency	trans frequency
cis orbitals	trans orbitals