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	hartrees
Energy at 0K	-380.829773
Energy at 298.15K	-380.832986
HF Energy	-380.341387
Nuclear repulsion energy	48.568105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3235	3235
2	A'	3160	3160
3	A'	2369	2369
4	A'	1464	1464
5	A'	1038	1038
6	A'	988	988
7	A'	744	744
8	A"	912	912
9	A"	847	847

Atom	x (Å)	y (Å)
C1	0.056	1.074
P2	0.056	-0.597
H3	-0.831	1.686
H4	1.000	1.600
H5	-1.351	-0.775

	C1	P2	H3	H4	H5
C1		1.6709	1.0781	1.0801	2.3235
P2	1.6709		2.4495	2.3911	1.4183
H3	1.0781	2.4495		1.8328	2.5153
H4	1.0801	2.3911	1.8328		3.3415
H5	2.3235	1.4183	2.5153	3.3415

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.211		P2	C1	H3	124.594
P2	C1	H4	119.153		H3	C1	H4	116.253

All results from a given calculation for CH₂PH (Phosphaethene)

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

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)