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	hartrees
Energy at 0K	-379.296015
Energy at 298.15K	-379.299195
HF Energy	-379.296015
Nuclear repulsion energy	48.722098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	3099	0.80
2	A'	3153	2987	1.44
3	A'	2508	2375	95.27
4	A'	1519	1438	1.08
5	A'	1090	1033	36.86
6	A'	1074	1017	1.12
7	A'	794	752	0.22
8	A"	982	930	93.99
9	A"	916	868	9.92

Atom	x (Å)	y (Å)
C1	0.056	1.065
P2	0.056	-0.594
H3	-0.832	1.691
H4	1.000	1.605
H5	-1.351	-0.773

	C1	P2	H3	H4	H5
C1		1.6593	1.0864	1.0875	2.3152
P2	1.6593		2.4514	2.3936	1.4188
H3	1.0864	2.4514		1.8339	2.5179
H4	1.0875	2.3936	1.8339		3.3446
H5	2.3152	1.4188	2.5179	3.3446

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.248		P2	C1	H3	125.156
P2	C1	H4	119.794		H3	C1	H4	115.051

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: M06-2X/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	-0.641
2	P	0.191
3	H	0.224
4	H	0.220
5	H	0.005

	x	y	z	Total
	-0.567	0.845	0.000	1.018
CHELPG
AIM
ESP

	x	y	z
x	4.096	0.354	0.000
y	0.354	6.252	0.000
z	0.000	0.000	2.428

<r²>	34.300
(<r²>)^1/2	5.857

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: M06-2X/3-21G*

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)