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	hartrees
Energy at 0K	-381.155467
Energy at 298.15K	-381.158606
HF Energy	-381.155467
Nuclear repulsion energy	48.594865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3268	3112	0.32
2	A'	3169	3017	2.26
3	A'	2417	2302	114.04
4	A'	1472	1402	1.63
5	A'	1053	1003	37.13
6	A'	1032	982	5.49
7	A'	761	724	0.39
8	A"	939	894	67.26
9	A"	886	843	27.58

Atom	x (Å)	y (Å)
C1	0.056	1.069
P2	0.056	-0.596
H3	-0.833	1.693
H4	1.004	1.602
H5	-1.356	-0.774

	C1	P2	H3	H4	H5
C1		1.6652	1.0860	1.0873	2.3216
P2	1.6652		2.4552	2.3934	1.4232
H3	1.0860	2.4552		1.8395	2.5210
H4	1.0873	2.3934	1.8395		3.3485
H5	2.3216	1.4232	2.5210	3.3485

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.172		P2	C1	H3	125.028
P2	C1	H4	119.325		H3	C1	H4	115.647

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: M06-2X/6-31+G**

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	-0.494
2	P	0.173
3	H	0.186
4	H	0.182
5	H	-0.049

	x	y	z	Total
	-0.573	0.778	0.000	0.967
CHELPG
AIM
ESP

	x	y	z
x	4.795	0.240	0.000
y	0.240	7.535	0.000
z	0.000	0.000	3.793

<r²>	34.670
(<r²>)^1/2	5.888

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: M06-2X/6-31+G**

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)