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	hartrees
Energy at 0K	-381.163280
Energy at 298.15K	-381.166393
HF Energy	-381.163280
Nuclear repulsion energy	48.588719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3120	0.47
2	A'	3149	3028	3.59
3	A'	2347	2257	91.23
4	A'	1442	1386	0.58
5	A'	1031	991	23.60
6	A'	1015	975	3.87
7	A'	737	709	0.28
8	A"	919	884	36.92
9	A"	864	830	25.34

Atom	x (Å)	y (Å)
C1	0.056	1.069
P2	0.056	-0.595
H3	-0.828	1.698
H4	1.006	1.599
H5	-1.361	-0.785

	C1	P2	H3	H4	H5
C1		1.6635	1.0857	1.0876	2.3333
P2	1.6635		2.4575	2.3908	1.4301
H3	1.0857	2.4575		1.8368	2.5390
H4	1.0876	2.3908	1.8368		3.3594
H5	2.3333	1.4301	2.5390	3.3594

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.630		P2	C1	H3	125.413
P2	C1	H4	119.210		H3	C1	H4	115.377

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.319
2	P	-0.085
3	H	0.171
4	H	0.168
5	H	0.065

	x	y	z	Total
	-0.539	1.024	0.000	1.157
CHELPG
AIM
ESP

	x	y	z
x	4.625	0.291	0.000
y	0.291	6.735	0.000
z	0.000	0.000	3.472

<r²>	34.245
(<r²>)^1/2	5.852

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)