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	hartrees
Energy at 0K	-380.315893
Energy at 298.15K	-380.319107
HF Energy	-380.315893
Nuclear repulsion energy	49.031032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3390	3066	2.29
2	A'	3301	2985	10.88
3	A'	2505	2266	150.60
4	A'	1602	1448	1.53
5	A'	1139	1030	46.09
6	A'	1089	985	0.85
7	A'	816	738	0.99
8	A"	1025	927	71.47
9	A"	944	854	28.26

Atom	x (Å)	y (Å)
C1	0.056	1.061
P2	0.056	-0.589
H3	-0.825	1.677
H4	0.991	1.595
H5	-1.339	-0.806

	C1	P2	H3	H4	H5
C1		1.6493	1.0754	1.0765	2.3299
P2	1.6493		2.4308	2.3749	1.4114
H3	1.0754	2.4308		1.8179	2.5350
H4	1.0765	2.3749	1.8179		3.3447
H5	2.3299	1.4114	2.5350	3.3447

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	98.846		P2	C1	H3	124.955
P2	C1	H4	119.735		H3	C1	H4	115.310

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: HF/6-311G*

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	-0.721
2	P	0.221
3	H	0.255
4	H	0.252
5	H	-0.008

	x	y	z	Total
	-0.580	0.961	0.000	1.122
CHELPG
AIM
ESP

	x	y	z
x	4.550	0.358	0.000
y	0.358	7.333	0.000
z	0.000	0.000	2.727

<r²>	34.505
(<r²>)^1/2	5.874

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)