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	hartrees
Energy at 0K	-381.216813
Energy at 298.15K	-381.219959
HF Energy	-381.216813
Nuclear repulsion energy	48.693293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	3101	0.64
2	A'	3148	3011	4.29
3	A'	2355	2253	104.59
4	A'	1467	1403	3.03
5	A'	1060	1014	33.27
6	A'	1038	993	3.65
7	A'	770	736	0.17
8	A"	933	892	66.78
9	A"	878	839	24.89

Atom	x (Å)	y (Å)
C1	0.056	1.065
P2	0.056	-0.594
H3	-0.832	1.689
H4	1.004	1.597
H5	-1.358	-0.774

	C1	P2	H3	H4	H5
C1		1.6588	1.0852	1.0862	2.3205
P2	1.6588		2.4491	2.3863	1.4258
H3	1.0852	2.4491		1.8378	2.5188
H4	1.0862	2.3863	1.8378		3.3465
H5	2.3205	1.4258	2.5188	3.3465

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.285		P2	C1	H3	125.074
P2	C1	H4	119.287		H3	C1	H4	115.639

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: wB97X-D/6-311G**

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	-0.513
2	P	0.221
3	H	0.165
4	H	0.163
5	H	-0.035

	x	y	z	Total
	-0.551	0.837	0.000	1.002
CHELPG
AIM
ESP

	x	y	z
x	4.796	0.333	0.000
y	0.333	7.113	0.000
z	0.000	0.000	2.830

<r²>	34.505
(<r²>)^1/2	5.874

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)