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	hartrees
Energy at 0K	-380.975102
Energy at 298.15K	-380.978238
HF Energy	-380.975102
Nuclear repulsion energy	47.692957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3304	3159	0.98
2	A'	3197	3056	2.36
3	A'	2236	2138	173.01
4	A'	1497	1431	1.89
5	A'	1056	1009	45.92
6	A'	984	940	0.26
7	A'	781	746	1.94
8	A"	959	917	102.18
9	A"	866	828	13.86

Atom	x (Å)	y (Å)
C1	0.058	1.095
P2	0.058	-0.608
H3	-0.831	1.719
H4	1.007	1.623
H5	-1.388	-0.796

	C1	P2	H3	H4	H5
C1		1.7033	1.0857	1.0863	2.3812
P2	1.7033		2.4907	2.4248	1.4582
H3	1.0857	2.4907		1.8409	2.5761
H4	1.0863	2.4248	1.8409		3.4049
H5	2.3812	1.4582	2.5761	3.4049

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.431		P2	C1	H3	125.032
P2	C1	H4	119.074		H3	C1	H4	115.894

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: PBE1PBE/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	-0.646
2	P	0.285
3	H	0.209
4	H	0.212
5	H	-0.061

	x	y	z	Total
	-0.738	1.292	0.000	1.488
CHELPG
AIM
ESP

	x	y	z
x	4.440	0.397	0.000
y	0.397	6.765	0.000
z	0.000	0.000	2.723

<r²>	35.430
(<r²>)^1/2	5.952

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: PBE1PBE/6-31G

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)