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	hartrees
Energy at 0K	-380.829325
Energy at 298.15K	-380.832537
HF Energy	-380.341325
Nuclear repulsion energy	48.546881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3232	3232
2	A'	3156	3156
3	A'	2384	2384
4	A'	1458	1458
5	A'	1036	1036
6	A'	983	983
7	A'	741	741
8	A"	914	914
9	A"	851	851

Atom	x (Å)	y (Å)
C1	0.056	1.075
P2	0.056	-0.597
H3	-0.832	1.687
H4	1.001	1.600
H5	-1.350	-0.773

	C1	P2	H3	H4	H5
C1		1.6722	1.0786	1.0807	2.3219
P2	1.6722		2.4511	2.3917	1.4168
H3	1.0786	2.4511		1.8346	2.5142
H4	1.0807	2.3917	1.8346		3.3400
H5	2.3219	1.4168	2.5142	3.3400

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.121		P2	C1	H3	124.592
P2	C1	H4	119.071		H3	C1	H4	116.337

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: MP4=FULL/aug-cc-pV(T+d)Z

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: MP4=FULL/aug-cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)