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	hartrees
Energy at 0K	-13.538720
Energy at 298.15K	-13.541904
HF Energy	-13.538720
Nuclear repulsion energy	15.811836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3435	3085	10.23
2	A'	3336	2996	18.47
3	A'	2495	2240	164.20
4	A'	1588	1426	2.75
5	A'	1113	999	42.86
6	A'	1064	955	0.07
7	A'	789	709	2.50
8	A"	1013	909	70.03
9	A"	923	829	20.55

Atom	x (Å)	y (Å)
C1	0.057	1.077
P2	0.057	-0.597
H3	-0.833	1.693
H4	1.000	1.609
H5	-1.356	-0.805

	C1	P2	H3	H4	H5
C1		1.6749	1.0825	1.0834	2.3537
P2	1.6749		2.4578	2.4002	1.4279
H3	1.0825	2.4578		1.8357	2.5527
H4	1.0834	2.4002	1.8357		3.3739
H5	2.3537	1.4279	2.5527	3.3739

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	98.361		P2	C1	H3	124.689
P2	C1	H4	119.410		H3	C1	H4	115.901

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: HF/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	-0.263
2	P	-0.156
3	H	0.196
4	H	0.187
5	H	0.036

	x	y	z	Total
	-0.808	1.093	0.000	1.359
CHELPG
AIM
ESP

	x	y	z
x	3.921	0.352	0.000
y	0.352	7.392	0.000
z	0.000	0.000	2.988

<r²>	28.269
(<r²>)^1/2	5.317

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)