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	hartrees
Energy at 0K	-381.001481
Energy at 298.15K	-381.004544
HF Energy	-381.001481
Nuclear repulsion energy	47.862231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3143	0.62
2	A'	3060	3042	4.50
3	A'	2261	2248	96.46
4	A'	1371	1363	1.01
5	A'	990	985	18.57
6	A'	971	965	3.57
7	A'	717	713	0.00
8	A"	866	861	25.87
9	A"	817	812	34.95

Atom	x (Å)	y (Å)
C1	0.057	1.084
P2	0.057	-0.604
H3	-0.840	1.725
H4	1.024	1.617
H5	-1.387	-0.782

	C1	P2	H3	H4	H5
C1		1.6885	1.1024	1.1040	2.3603
P2	1.6885		2.4962	2.4225	1.4554
H3	1.1024	2.4962		1.8671	2.5666
H4	1.1040	2.4225	1.8671		3.4017
H5	2.3603	1.4554	2.5666	3.4017

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.029		P2	C1	H3	125.544
P2	C1	H4	118.849		H3	C1	H4	115.607

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: PBEPBEultrafine/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	-0.183
2	P	0.042
3	H	0.067
4	H	0.071
5	H	0.002

	x	y	z	Total
	-0.454	0.821	0.000	0.938
CHELPG
AIM
ESP

	x	y	z
x	4.837	0.398	0.000
y	0.398	6.864	0.000
z	0.000	0.000	2.738

<r²>	35.023
(<r²>)^1/2	5.918

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)