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	hartrees
Energy at 0K	-381.071585
Energy at 298.15K	-381.074715
HF Energy	-381.071585
Nuclear repulsion energy	48.577662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3244	3115	0.49
2	A'	3148	3024	4.09
3	A'	2362	2269	101.60
4	A'	1455	1397	2.34
5	A'	1044	1002	33.37
6	A'	1021	981	2.83
7	A'	754	725	0.12
8	A"	924	887	56.72
9	A"	867	832	36.23

Atom	x (Å)	y (Å)
C1	0.057	1.069
P2	0.057	-0.595
H3	-0.830	1.695
H4	1.005	1.599
H5	-1.362	-0.782

	C1	P2	H3	H4	H5
C1		1.6645	1.0851	1.0866	2.3322
P2	1.6645		2.4557	2.3903	1.4306
H3	1.0851	2.4557		1.8382	2.5332
H4	1.0866	2.3903	1.8382		3.3573
H5	2.3322	1.4306	2.5332	3.3573

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.501		P2	C1	H3	125.198
P2	C1	H4	119.156		H3	C1	H4	115.647

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: HSEh1PBE/6-311G**

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	-0.518
2	P	0.202
3	H	0.168
4	H	0.167
5	H	-0.019

	x	y	z	Total
	-0.539	0.858	0.000	1.013
CHELPG
AIM
ESP

	x	y	z
x	4.808	0.324	0.000
y	0.324	7.085	0.000
z	0.000	0.000	2.843

<r²>	34.643
(<r²>)^1/2	5.886

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: HSEh1PBE/6-311G**

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)