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	hartrees
Energy at 0K	-381.221650
Energy at 298.15K	-381.224745
HF Energy	-381.221650
Nuclear repulsion energy	48.206353

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3121	3.34
2	A'	3074	3030	9.14
3	A'	2276	2244	115.71
4	A'	1427	1407	0.87
5	A'	1023	1009	32.42
6	A'	968	954	0.75
7	A'	745	734	0.06
8	A"	887	875	43.68
9	A"	837	825	41.97

Atom	x (Å)	y (Å)
C1	0.057	1.079
P2	0.057	-0.601
H3	-0.832	1.708
H4	1.009	1.610
H5	-1.370	-0.784

	C1	P2	H3	H4	H5
C1		1.6799	1.0889	1.0903	2.3470
P2	1.6799		2.4741	2.4069	1.4386
H3	1.0889	2.4741		1.8440	2.5499
H4	1.0903	2.4069	1.8440		3.3753
H5	2.3470	1.4386	2.5499	3.3753

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.346		P2	C1	H3	125.338
P2	C1	H4	119.218		H3	C1	H4	115.443

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: B97D3/6-311G**

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	-0.479
2	P	0.190
3	H	0.156
4	H	0.155
5	H	-0.022

	x	y	z	Total
	-0.489	0.862	0.000	0.991
CHELPG
AIM
ESP

	x	y	z
x	4.934	0.318	0.000
y	0.318	7.163	0.000
z	0.000	0.000	2.862

<r²>	34.997
(<r²>)^1/2	5.916

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: B97D3/6-311G**

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)