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	hartrees
Energy at 0K	-378.446309
Energy at 298.15K	-378.449545
HF Energy	-378.446309
Nuclear repulsion energy	49.128862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3387	3057	1.06
2	A'	3305	2983	6.68
3	A'	2552	2304	133.64
4	A'	1621	1463	1.30
5	A'	1158	1045	43.35
6	A'	1117	1008	1.36
7	A'	838	757	0.87
8	A"	1069	965	93.18
9	A"	965	871	20.20

Atom	x (Å)	y (Å)
C1	0.056	1.058
P2	0.056	-0.587
H3	-0.824	1.675
H4	0.988	1.594
H5	-1.336	-0.805

	C1	P2	H3	H4	H5
C1		1.6454	1.0743	1.0758	2.3249
P2	1.6454		2.4270	2.3728	1.4083
H3	1.0743	2.4270		1.8140	2.5314
H4	1.0758	2.3728	1.8140		3.3400
H5	2.3249	1.4083	2.5314	3.3400

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	98.869		P2	C1	H3	125.028
P2	C1	H4	119.911		H3	C1	H4	115.061

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: HF/3-21G*

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	-0.672
2	P	0.246
3	H	0.238
4	H	0.231
5	H	-0.042

	x	y	z	Total
	-0.567	0.981	0.000	1.133
CHELPG
AIM
ESP

	x	y	z
x	4.049	0.437	0.000
y	0.437	6.670	0.000
z	0.000	0.000	2.403

<r²>	34.218
(<r²>)^1/2	5.850

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)