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	hartrees
Energy at 0K	-381.261031
Energy at 298.15K	-381.264157
HF Energy	-381.261031
Nuclear repulsion energy	48.464255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	3111	1.30
2	A'	3128	3024	5.29
3	A'	2330	2253	113.15
4	A'	1460	1411	1.66
5	A'	1046	1011	35.47
6	A'	1002	969	0.68
7	A'	758	733	0.12
8	A"	920	889	56.22
9	A"	863	834	33.69

Atom	x (Å)	y (Å)
C1	0.056	1.073
P2	0.056	-0.597
H3	-0.829	1.699
H4	1.004	1.604
H5	-1.361	-0.791

	C1	P2	H3	H4	H5
C1		1.6701	1.0843	1.0858	2.3422
P2	1.6701		2.4608	2.3959	1.4311
H3	1.0843	2.4608		1.8352	2.5464
H4	1.0858	2.3959	1.8352		3.3659
H5	2.3422	1.4311	2.5464	3.3659

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.798		P2	C1	H3	125.258
P2	C1	H4	119.251		H3	C1	H4	115.491

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: B3LYP/6-311G**

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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Number	Element	Mulliken
1	C	-0.487
2	P	0.224
3	H	0.152
4	H	0.150
5	H	-0.040

	x	y	z	Total
	-0.491	0.825	0.000	0.960
CHELPG
AIM
ESP

	x	y	z
x	4.849	0.325	0.000
y	0.325	7.127	0.000
z	0.000	0.000	2.846

<r²>	34.859
(<r²>)^1/2	5.904

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)