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	hartrees
Energy at 0K	-380.825119
Energy at 298.15K	-380.828236
HF Energy	-380.340490
Nuclear repulsion energy	48.556657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3238	3238
2	A'	3161	3161
3	A'	2385	2385
4	A'	1462	1462
5	A'	1041	1041
6	A'	985	985
7	A'	744	744
8	A"	917	917
9	A"	857	857

Atom	x (Å)	y (Å)
C1	0.056	1.074
P2	0.056	-0.597
H3	-0.830	1.688
H4	1.001	1.598
H5	-1.350	-0.772

	C1	P2	H3	H4	H5
C1		1.6718	1.0784	1.0805	2.3210
P2	1.6718		2.4517	2.3902	1.4170
H3	1.0784	2.4517		1.8339	2.5148
H4	1.0805	2.3902	1.8339		3.3386
H5	2.3210	1.4170	2.5148	3.3386

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.086		P2	C1	H3	124.705
P2	C1	H4	118.988		H3	C1	H4	116.308

All results from a given calculation for CH₂PH (Phosphaethene)

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

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)