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	hartrees
Energy at 0K	-45.861987
Energy at 298.15K	-45.865203
HF Energy	-45.861987
Nuclear repulsion energy	21.332944

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3456	3110	4.56
2	A'	3346	3011	8.74
3	A'	2394	2155	139.09
4	A'	1609	1448	5.29
5	A'	1148	1033	42.36
6	A'	1041	937	1.03
7	A'	845	761	1.85
8	A"	1059	953	103.51
9	A"	937	843	17.73

Atom	x (Å)	y (Å)
C1	0.057	1.086
P2	0.057	-0.600
H3	-0.824	1.701
H4	0.990	1.619
H5	-1.358	-0.829

	C1	P2	H3	H4	H5
C1		1.6863	1.0737	1.0741	2.3806
P2	1.6863		2.4637	2.4070	1.4328
H3	1.0737	2.4637		1.8150	2.5853
H4	1.0741	2.4070	1.8150		3.3911
H5	2.3806	1.4328	2.5853	3.3911

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	99.178		P2	C1	H3	124.925
P2	C1	H4	119.723		H3	C1	H4	115.353

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: HF/LANL2DZ

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	-0.755
2	P	0.385
3	H	0.233
4	H	0.233
5	H	-0.096

	x	y	z	Total
	-0.686	1.100	0.000	1.296
CHELPG
AIM
ESP

	x	y	z
x	4.172	0.494	0.000
y	0.494	7.592	0.000
z	0.000	0.000	1.643

<r²>	31.149
(<r²>)^1/2	5.581

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)