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	hartrees
Energy at 0K	-380.938501
Energy at 298.15K	-380.941627
HF Energy	-380.882000
Nuclear repulsion energy	47.425250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3295	3295	2.42
2	A'	3191	3191	4.20
3	A'	2228	2228	183.74
4	A'	1513	1513	0.69
5	A'	1062	1062	44.88
6	A'	942	942	0.41
7	A'	782	782	2.64
8	A"	951	951	88.15
9	A"	860	860	17.42

Atom	x (Å)	y (Å)
C1	0.058	1.105
P2	0.058	-0.613
H3	-0.834	1.724
H4	1.006	1.633
H5	-1.387	-0.798

	C1	P2	H3	H4	H5
C1		1.7182	1.0850	1.0853	2.3897
P2	1.7182		2.5009	2.4377	1.4567
H3	1.0850	2.5009		1.8424	2.5817
H4	1.0853	2.4377	1.8424		3.4114
H5	2.3897	1.4567	2.5817	3.4114

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.303		P2	C1	H3	124.744
P2	C1	H4	119.074		H3	C1	H4	116.182

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: B2PLYP/6-31G

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	-0.571
2	P	0.297
3	H	0.178
4	H	0.180
5	H	-0.084

	x	y	z	Total
	-0.679	1.229	0.000	1.404
CHELPG
AIM
ESP

	x	y	z
x	4.444	0.401	0.000
y	0.401	6.633	0.000
z	0.000	0.000	2.696

<r²>	35.873
(<r²>)^1/2	5.989

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: B2PLYP/6-31G

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)