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	hartrees
Energy at 0K	-380.980816
Energy at 298.15K	-380.984270
HF Energy	-380.980816
Nuclear repulsion energy	48.020260

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3450	3400	1.30
2	A'	3303	3255	4.32
3	A'	3177	3132	1.93
4	A'	3086	3042	5.38
5	A'	2637	2600	70.19
6	A'	2280	2248	130.38
7	A'	1607	1584	0.44
8	A'	1433	1413	0.38
9	A'	1175	1158	22.05

Atom	x (Å)	y (Å)
C1	0.057	1.082
P2	0.057	-0.603
H3	-0.833	1.722
H4	1.015	1.615
H5	-1.377	-0.781

	C1	P2	H3	H4	H5
C1		1.6852	1.0956	1.0969	2.3512
P2	1.6852		2.4892	2.4165	1.4450
H3	1.0956	2.4892		1.8512	2.5615
H4	1.0969	2.4165	1.8512		3.3863
H5	2.3512	1.4450	2.5615	3.3863

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.082		P2	C1	H3	125.719
P2	C1	H4	119.080		H3	C1	H4	115.201

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: PBEPBE/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	-0.484
2	P	0.098
3	H	0.196
4	H	0.194
5	H	-0.004

	x	y	z	Total
	-0.571	1.095	0.000	1.235
CHELPG
AIM
ESP

	x	y	z
x	2.134	0.388	0.000
y	0.388	3.444	0.000
z	0.000	0.000	0.898

<r²>	34.871
(<r²>)^1/2	5.905

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)