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	hartrees
Energy at 0K	-381.213542
Energy at 298.15K	-381.216628
HF Energy	-381.213542
Nuclear repulsion energy	48.031600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3133	3125	4.67
2	A'	3048	3040	11.23
3	A'	2218	2213	129.59
4	A'	1437	1434	1.02
5	A'	1026	1024	35.39
6	A'	960	958	0.77
7	A'	748	746	0.04
8	A"	882	880	48.08
9	A"	831	829	43.36

Atom	x (Å)	y (Å)
C1	0.057	1.083
P2	0.057	-0.603
H3	-0.831	1.718
H4	1.010	1.618
H5	-1.376	-0.788

	C1	P2	H3	H4	H5
C1		1.6860	1.0917	1.0930	2.3565
P2	1.6860		2.4854	2.4169	1.4445
H3	1.0917	2.4854		1.8434	2.5651
H4	1.0930	2.4169	1.8434		3.3883
H5	2.3565	1.4445	2.5651	3.3883

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.360		P2	C1	H3	125.602
P2	C1	H4	119.313		H3	C1	H4	115.085

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: BLYP/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	-0.650
2	P	0.171
3	H	0.229
4	H	0.228
5	H	0.021

	x	y	z	Total
	-0.453	0.844	0.000	0.958
CHELPG
AIM
ESP

	x	y	z
x	4.935	0.327	0.001
y	0.327	7.056	-0.001
z	0.001	-0.001	2.780

<r²>	35.338
(<r²>)^1/2	5.945

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)