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	hartrees
Energy at 0K	-381.239212
Energy at 298.15K	-381.242318
HF Energy	-381.239212
Nuclear repulsion energy	48.167016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3225	3128	0.81
2	A'	3128	3034	4.86
3	A'	2306	2237	108.95
4	A'	1424	1381	1.27
5	A'	1027	997	22.95
6	A'	997	967	1.02
7	A'	743	721	0.03
8	A"	900	873	33.06
9	A"	848	823	28.91

Atom	x (Å)	y (Å)
C1	0.057	1.078
P2	0.057	-0.600
H3	-0.835	1.712
H4	1.016	1.609
H5	-1.374	-0.791

	C1	P2	H3	H4	H5
C1		1.6784	1.0945	1.0961	2.3540
P2	1.6784		2.4785	2.4084	1.4436
H3	1.0945	2.4785		1.8541	2.5605
H4	1.0961	2.4084	1.8541		3.3870
H5	2.3540	1.4436	2.5605	3.3870

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.594		P2	C1	H3	125.394
P2	C1	H4	118.963		H3	C1	H4	115.643

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: B3LYP/cc-pVDZ

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	-0.165
2	P	0.076
3	H	0.056
4	H	0.059
5	H	-0.025

	x	y	z	Total
	-0.438	0.800	0.000	0.912
CHELPG
AIM
ESP

	x	y	z
x	4.730	0.423	0.001
y	0.423	6.838	-0.002
z	0.001	-0.002	2.707

<r²>	34.777
(<r²>)^1/2	5.897

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)