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	hartrees
Energy at 0K	-379.320585
Energy at 298.15K	-379.323694
HF Energy	-379.320585
Nuclear repulsion energy	48.034602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3137	3117	4.05
2	A'	3056	3036	7.51
3	A'	2268	2253	109.49
4	A'	1470	1460	0.44
5	A'	1045	1038	33.38
6	A'	978	972	0.08
7	A'	762	757	0.03
8	A"	907	901	61.20
9	A"	849	843	25.16

Atom	x (Å)	y (Å)
C1	0.057	1.082
P2	0.057	-0.603
H3	-0.833	1.719
H4	1.010	1.622
H5	-1.374	-0.783

	C1	P2	H3	H4	H5
C1		1.6853	1.0941	1.0958	2.3503
P2	1.6853		2.4867	2.4210	1.4421
H3	1.0941	2.4867		1.8457	2.5592
H4	1.0958	2.4210	1.8457		3.3863
H5	2.3503	1.4421	2.5592	3.3863

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.141		P2	C1	H3	125.591
P2	C1	H4	119.529		H3	C1	H4	114.880

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: BLYP/3-21G*

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	-0.569
2	P	0.171
3	H	0.201
4	H	0.197
5	H	0.000

	x	y	z	Total
	-0.498	0.972	0.000	1.092
CHELPG
AIM
ESP

	x	y	z
x	4.234	0.348	0.000
y	0.348	6.289	0.000
z	0.000	0.000	2.440

<r²>	34.928
(<r²>)^1/2	5.910

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)