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	hartrees
Energy at 0K	-379.270517
Energy at 298.15K	-379.273649
HF Energy	-379.270517
Nuclear repulsion energy	47.658201

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3258	3144	1.31
2	A'	3163	3052	2.86
3	A'	2175	2099	132.00
4	A'	1502	1449	1.27
5	A'	1056	1019	40.77
6	A'	964	930	0.03
7	A'	779	752	1.59
8	A"	943	910	89.47
9	A"	864	834	18.35

Atom	x (Å)	y (Å)
C1	0.058	1.097
P2	0.058	-0.609
H3	-0.833	1.717
H4	1.006	1.626
H5	-1.386	-0.787

	C1	P2	H3	H4	H5
C1		1.7065	1.0848	1.0855	2.3741
P2	1.7065		2.4908	2.4280	1.4551
H3	1.0848	2.4908		1.8406	2.5645
H4	1.0855	2.4280	1.8406		3.3978
H5	2.3741	1.4551	2.5645	3.3978

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.016		P2	C1	H3	124.838
P2	C1	H4	119.157		H3	C1	H4	116.005

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: B3LYP/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	-0.783
2	P	0.373
3	H	0.229
4	H	0.230
5	H	-0.050

	x	y	z	Total
	-0.641	1.166	0.000	1.330
CHELPG
AIM
ESP

	x	y	z
x	4.255	0.415	0.000
y	0.415	6.425	0.000
z	0.000	0.000	2.290

<r²>	35.518
(<r²>)^1/2	5.960

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)