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	hartrees
Energy at 0K	-381.202985
Energy at 298.15K	-381.206105
HF Energy	-381.202985
Nuclear repulsion energy	48.600346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3114	0.27
2	A'	3136	3027	3.78
3	A'	2340	2259	85.44
4	A'	1443	1393	2.75
5	A'	1031	995	20.07
6	A'	1012	976	4.33
7	A'	743	717	0.63
8	A"	913	881	42.47
9	A"	859	829	24.82

Atom	x (Å)	y (Å)
C1	0.057	1.068
P2	0.057	-0.595
H3	-0.830	1.691
H4	1.003	1.598
H5	-1.361	-0.778

	C1	P2	H3	H4	H5
C1		1.6627	1.0834	1.0845	2.3274
P2	1.6627		2.4516	2.3880	1.4297
H3	1.0834	2.4516		1.8350	2.5253
H4	1.0845	2.3880	1.8350		3.3515
H5	2.3274	1.4297	2.5253	3.3515

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.350		P2	C1	H3	125.111
P2	C1	H4	119.246		H3	C1	H4	115.643

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: B3PW91/aug-cc-pVTZ

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	-0.839
2	P	0.050
3	H	0.350
4	H	0.377
5	H	0.062

	x	y	z	Total
	-0.481	0.817	0.000	0.948
CHELPG
AIM
ESP

	x	y	z
x	5.655	0.237	0.000
y	0.237	7.781	-0.000
z	0.000	-0.000	4.970

<r²>	34.500
(<r²>)^1/2	5.874

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: B3PW91/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)