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	hartrees
Energy at 0K	-381.019614
Energy at 298.15K	-381.022743
HF Energy	-380.933467
Nuclear repulsion energy	48.409877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3286	3286	1.66
2	A'	3189	3189	4.49
3	A'	2409	2409	126.51
4	A'	1494	1494	0.31
5	A'	1061	1061	37.20
6	A'	999	999	0.32
7	A'	764	764	0.51
8	A"	931	931	40.53
9	A"	871	871	33.39

Atom	x (Å)	y (Å)
C1	0.056	1.077
P2	0.056	-0.599
H3	-0.829	1.701
H4	1.003	1.605
H5	-1.354	-0.783

	C1	P2	H3	H4	H5
C1		1.6754	1.0834	1.0845	2.3339
P2	1.6754		2.4643	2.3987	1.4226
H3	1.0834	2.4643		1.8349	2.5386
H4	1.0845	2.3987	1.8349		3.3556
H5	2.3339	1.4226	2.5386	3.3556

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.430		P2	C1	H3	125.190
P2	C1	H4	119.162		H3	C1	H4	115.648

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: B2PLYP/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	-0.386
2	P	0.164
3	H	0.143
4	H	0.141
5	H	-0.062

	x	y	z	Total
	-0.565	1.027	0.000	1.173
CHELPG
AIM
ESP

	x	y	z
x	4.325	0.325	0.000
y	0.325	6.528	0.000
z	0.000	0.000	2.898

<r²>	34.624
(<r²>)^1/2	5.884

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: B2PLYP/6-31G**

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)