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	hartrees
Energy at 0K	-381.148104
Energy at 298.15K	-381.151242
HF Energy	-381.148104
Nuclear repulsion energy	48.616828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3280	3106	0.72
2	A'	3184	3015	2.28
3	A'	2430	2301	124.49
4	A'	1493	1414	0.45
5	A'	1059	1003	37.42
6	A'	1040	985	2.54
7	A'	762	722	0.46
8	A"	943	893	55.58
9	A"	890	843	28.98

Atom	x (Å)	y (Å)
C1	0.056	1.068
P2	0.056	-0.596
H3	-0.831	1.694
H4	1.004	1.602
H5	-1.356	-0.773

	C1	P2	H3	H4	H5
C1		1.6639	1.0861	1.0874	2.3201
P2	1.6639		2.4559	2.3930	1.4232
H3	1.0861	2.4559		1.8374	2.5221
H4	1.0874	2.3930	1.8374		3.3475
H5	2.3201	1.4232	2.5221	3.3475

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.144		P2	C1	H3	125.199
P2	C1	H4	119.385		H3	C1	H4	115.417

All results from a given calculation for CH₂PH (Phosphaethene)

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

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	-0.516
2	P	0.140
3	H	0.201
4	H	0.198
5	H	-0.022

	x	y	z	Total
	-0.561	0.949	0.000	1.102
CHELPG
AIM
ESP

	x	y	z
x	4.370	0.302	0.000
y	0.302	6.616	0.000
z	0.000	0.000	2.867

<r²>	34.369
(<r²>)^1/2	5.863

All results from a given calculation for CH2PH (Phosphaethene)

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

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)