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	hartrees
Energy at 0K	-13.932152
Energy at 298.15K	-13.935238
HF Energy	-13.932152
Nuclear repulsion energy	15.611629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	3119	9.78
2	A'	3135	3027	11.96
3	A'	2307	2228	142.36
4	A'	1455	1405	3.75
5	A'	1027	992	38.71
6	A'	977	944	1.79
7	A'	738	713	1.43
8	A"	899	868	66.58
9	A"	841	812	36.92

Atom	x (Å)	y (Å)
C1	0.057	1.090
P2	0.057	-0.607
H3	-0.838	1.724
H4	1.017	1.623
H5	-1.381	-0.785

	C1	P2	H3	H4	H5
C1		1.6975	1.0965	1.0974	2.3635
P2	1.6975		2.4968	2.4278	1.4494
H3	1.0965	2.4968		1.8572	2.5669
H4	1.0974	2.4278	1.8572		3.3983
H5	2.3635	1.4494	2.5669	3.3983

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.050		P2	C1	H3	125.286
P2	C1	H4	119.040		H3	C1	H4	115.674

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: B3LYP/CEP-31G*

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	-0.325
2	P	-0.171
3	H	0.220
4	H	0.208
5	H	0.068

	x	y	z	Total
	-0.715	1.019	0.000	1.245
CHELPG
AIM
ESP

	x	y	z
x	4.071	0.294	0.000
y	0.294	7.106	0.000
z	0.000	0.000	2.961

<r²>	28.496
(<r²>)^1/2	5.338

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)