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	hartrees
Energy at 0K	-379.085866
Energy at 298.15K	-379.089005
HF Energy	-379.085866
Nuclear repulsion energy	47.754105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3280	3160	0.37
2	A'	3180	3063	1.76
3	A'	2193	2112	123.04
4	A'	1498	1443	2.08
5	A'	1054	1016	43.02
6	A'	984	948	0.13
7	A'	778	750	1.77
8	A"	954	919	101.37
9	A"	870	838	18.15

Atom	x (Å)	y (Å)
C1	0.058	1.094
P2	0.058	-0.607
H3	-0.833	1.714
H4	1.007	1.622
H5	-1.387	-0.786

	C1	P2	H3	H4	H5
C1		1.7012	1.0856	1.0863	2.3709
P2	1.7012		2.4866	2.4228	1.4555
H3	1.0856	2.4866		1.8427	2.5610
H4	1.0863	2.4228	1.8427		3.3954
H5	2.3709	1.4555	2.5610	3.3954

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.059		P2	C1	H3	124.852
P2	C1	H4	119.067		H3	C1	H4	116.080

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: HSEh1PBE/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	-0.846
2	P	0.373
3	H	0.254
4	H	0.255
5	H	-0.036

	x	y	z	Total
	-0.701	1.198	0.000	1.388
CHELPG
AIM
ESP

	x	y	z
x	4.273	0.413	0.000
y	0.413	6.445	0.000
z	0.000	0.000	2.315

<r²>	35.423
(<r²>)^1/2	5.952

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)