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	hartrees
Energy at 0K	-379.983912
Energy at 298.15K	-379.987003
HF Energy	-379.983912
Nuclear repulsion energy	47.538228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3151	0.57
2	A'	3108	3045	0.90
3	A'	2152	2108	151.59
4	A'	1433	1403	2.61
5	A'	1013	992	43.57
6	A'	962	942	1.16
7	A'	748	733	1.06
8	A"	914	896	101.38
9	A"	835	818	14.11

Atom	x (Å)	y (Å)
C1	0.058	1.095
P2	0.058	-0.609
H3	-0.835	1.728
H4	1.020	1.621
H5	-1.406	-0.786

	C1	P2	H3	H4	H5
C1		1.7045	1.0949	1.0958	2.3841
P2	1.7045		2.5023	2.4287	1.4748
H3	1.0949	2.5023		1.8579	2.5783
H4	1.0958	2.4287	1.8579		3.4173
H5	2.3841	1.4748	2.5783	3.4173

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	96.896		P2	C1	H3	125.308
P2	C1	H4	118.675		H3	C1	H4	116.017

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: LSDA/6-31G

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	-0.612
2	P	0.232
3	H	0.205
4	H	0.209
5	H	-0.034

	x	y	z	Total
	-0.744	1.273	0.000	1.475
CHELPG
AIM
ESP

	x	y	z
x	4.559	0.376	0.000
y	0.376	6.630	0.000
z	0.000	0.000	2.725

<r²>	35.491
(<r²>)^1/2	5.957

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: LSDA/6-31G

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)