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	hartrees
Energy at 0K	-376.866387
Energy at 298.15K	-376.869552
HF Energy	-376.866387
Nuclear repulsion energy	49.128094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3597	3597	0.07
2	A'	3450	3450	12.41
3	A'	2815	2815	56.10
4	A'	1671	1671	0.58
5	A'	1246	1246	25.91
6	A'	1164	1164	0.10
7	A'	898	898	0.35
8	A"	1020	1020	0.47
9	A"	972	972	36.91

Atom	x (Å)	y (Å)
C1	0.056	1.050
P2	0.056	-0.591
H3	-0.827	1.689
H4	0.992	1.609
H5	-1.344	-0.725

	C1	P2	H3	H4	H5
C1		1.6408	1.0904	1.0905	2.2604
P2	1.6408		2.4456	2.3909	1.4064
H3	1.0904	2.4456		1.8210	2.4692
H4	1.0905	2.3909	1.8210		3.3022
H5	2.2604	1.4064	2.4692	3.3022

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	95.459		P2	C1	H3	125.930
P2	C1	H4	120.841		H3	C1	H4	113.229

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: M06-2X/STO-3G

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	-0.353
2	P	0.341
3	H	0.062
4	H	0.060
5	H	-0.110

	x	y	z	Total
	-0.312	0.108	0.000	0.330
CHELPG
AIM
ESP

	x	y	z
x	2.124	0.430	0.000
y	0.430	3.554	0.000
z	0.000	0.000	0.894

<r²>	32.571
(<r²>)^1/2	5.707

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: M06-2X/STO-3G

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)