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	hartrees
Energy at 0K	-380.772895
Energy at 298.15K	-380.776002
HF Energy	-380.338607
Nuclear repulsion energy	48.425287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3217	3118
2	A'	3168	3071
3	A'	2384	2310
4	A'	1455	1411
5	A'	1036	1004
6	A'	978	948
7	A'	738	715
8	A"	907	880
9	A"	847	821

Atom	x (Å)	y (Å)
C1	0.056	1.078
P2	0.056	-0.599
H3	-0.829	1.695
H4	1.001	1.602
H5	-1.353	-0.772

	C1	P2	H3	H4	H5
C1		1.6774	1.0790	1.0807	2.3259
P2	1.6774		2.4590	2.3962	1.4199
H3	1.0790	2.4590		1.8327	2.5219
H4	1.0807	2.3962	1.8327		3.3440
H5	2.3259	1.4199	2.5219	3.3440

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	96.990		P2	C1	H3	124.854
P2	C1	H4	119.037		H3	C1	H4	116.109

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: MP4=FULL/aug-cc-pVTZ

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-pVTZ

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)