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	hartrees
Energy at 0K	-381.219187
Energy at 298.15K	-381.222277
HF Energy	-381.219187
Nuclear repulsion energy	48.102701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3127	2.86
2	A'	3079	3034	7.46
3	A'	2266	2233	116.78
4	A'	1427	1406	1.18
5	A'	1017	1003	26.13
6	A'	960	946	1.22
7	A'	744	733	0.06
8	A"	885	872	47.17
9	A"	834	822	35.16

Atom	x (Å)	y (Å)
C1	0.057	1.083
P2	0.057	-0.602
H3	-0.832	1.710
H4	1.009	1.612
H5	-1.374	-0.783

	C1	P2	H3	H4	H5
C1		1.6850	1.0879	1.0893	2.3506
P2	1.6850		2.4773	2.4106	1.4418
H3	1.0879	2.4773		1.8431	2.5509
H4	1.0893	2.4106	1.8431		3.3780
H5	2.3506	1.4418	2.5509	3.3780

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.180		P2	C1	H3	125.227
P2	C1	H4	119.097		H3	C1	H4	115.675

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: B97D3/TZVP

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	-0.407
2	P	0.122
3	H	0.155
4	H	0.151
5	H	-0.022

	x	y	z	Total
	-0.491	0.818	0.000	0.954
CHELPG
AIM
ESP

	x	y	z
x	5.044	0.287	0.000
y	0.287	7.630	0.000
z	0.000	0.000	3.253

<r²>	34.988
(<r²>)^1/2	5.915

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)