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	hartrees
Energy at 0K	-375.988528
Energy at 298.15K	-375.991768
HF Energy	-375.988528
Nuclear repulsion energy	49.777245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3786	3091	0.56
2	A'	3634	2967	18.91
3	A'	3006	2454	58.79
4	A'	1808	1476	0.64
5	A'	1327	1083	27.74
6	A'	1266	1034	1.02
7	A'	953	778	1.50
8	A"	1125	919	0.12
9	A"	1053	859	39.95

Atom	x (Å)	y (Å)
C1	0.055	1.035
P2	0.055	-0.581
H3	-0.819	1.669
H4	0.981	1.592
H5	-1.323	-0.752

	C1	P2	H3	H4	H5
C1		1.6166	1.0799	1.0801	2.2573
P2	1.6166		2.4144	2.3623	1.3891
H3	1.0799	2.4144		1.8013	2.4735
H4	1.0801	2.3623	1.8013		3.2870
H5	2.2573	1.3891	2.4735	3.2870

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.067		P2	C1	H3	125.953
P2	C1	H4	121.034		H3	C1	H4	113.013

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: HF/STO-3G

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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Number	Element	Mulliken
1	C	-0.354
2	P	0.383
3	H	0.052
4	H	0.051
5	H	-0.133

	x	y	z	Total
	-0.333	0.128	0.000	0.357
CHELPG
AIM
ESP

	x	y	z
x	2.030	0.466	0.000
y	0.466	3.849	0.000
z	0.000	0.000	0.842

<r²>	32.135
(<r²>)^1/2	5.669

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)