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	hartrees
Energy at 0K	-381.279418
Energy at 298.15K	-381.282539
HF Energy	-381.279418
Nuclear repulsion energy	48.637433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3216	3115	0.62
2	A'	3128	3030	4.75
3	A'	2326	2254	95.08
4	A'	1454	1409	2.29
5	A'	1038	1006	23.94
6	A'	1004	973	1.43
7	A'	750	726	0.50
8	A"	916	888	43.34
9	A"	862	835	23.51

Atom	x (Å)	y (Å)
C1	0.056	1.069
P2	0.056	-0.594
H3	-0.828	1.692
H4	1.001	1.599
H5	-1.356	-0.792

	C1	P2	H3	H4	H5
C1		1.6636	1.0811	1.0829	2.3367
P2	1.6636		2.4510	2.3883	1.4264
H3	1.0811	2.4510		1.8305	2.5394
H4	1.0829	2.3883	1.8305		3.3576
H5	2.3367	1.4264	2.5394	3.3576

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.966		P2	C1	H3	125.155
P2	C1	H4	119.307		H3	C1	H4	115.538

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: B3LYP/cc-pVQZ

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	-0.425
2	P	0.238
3	H	0.119
4	H	0.112
5	H	-0.043

	x	y	z	Total
	-0.449	0.771	0.000	0.892
CHELPG
AIM
ESP

	x	y	z
x	5.386	0.266	0.000
y	0.266	7.605	0.000
z	0.000	0.000	4.190

<r²>	34.580
(<r²>)^1/2	5.880

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: B3LYP/cc-pVQZ

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)