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	hartrees
Energy at 0K	-380.238377
Energy at 298.15K	-380.241598
HF Energy	-380.238377
Nuclear repulsion energy	48.295652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3454	3110	4.25
2	A'	3343	3010	8.35
3	A'	2366	2130	150.17
4	A'	1612	1451	5.84
5	A'	1148	1034	43.17
6	A'	1055	950	0.68
7	A'	851	767	2.52
8	A"	1059	954	114.48
9	A"	939	846	17.90

Atom	x (Å)	y (Å)
C1	0.057	1.083
P2	0.057	-0.599
H3	-0.825	1.695
H4	0.989	1.617
H5	-1.356	-0.826

	C1	P2	H3	H4	H5
C1		1.6819	1.0737	1.0741	2.3751
P2	1.6819		2.4580	2.4040	1.4314
H3	1.0737	2.4580		1.8156	2.5766
H4	1.0741	2.4040	1.8156		3.3864
H5	2.3751	1.4314	2.5766	3.3864

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	99.121		P2	C1	H3	124.772
P2	C1	H4	119.821		H3	C1	H4	115.408

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: HF/SDD

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	-0.805
2	P	0.431
3	H	0.233
4	H	0.234
5	H	-0.093

	x	y	z	Total
	-0.685	1.083	0.000	1.281
CHELPG
AIM
ESP

	x	y	z
x	4.209	0.475	0.000
y	0.475	7.631	0.000
z	0.000	0.000	2.259

<r²>	35.338
(<r²>)^1/2	5.945

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)