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	hartrees
Energy at 0K	-381.220697
Energy at 298.15K	-381.223816
HF Energy	-381.220697
Nuclear repulsion energy	48.350823

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3247	3115	3.05
2	A'	3158	3030	8.28
3	A'	2379	2283	146.67
4	A'	1496	1435	0.11
5	A'	1056	1013	38.44
6	A'	1006	965	0.28
7	A'	752	722	0.37
8	A"	929	891	47.59
9	A"	870	834	31.13

Atom	x (Å)	y (Å)
C1	0.056	1.075
P2	0.056	-0.599
H3	-0.829	1.707
H4	1.006	1.607
H5	-1.359	-0.781

	C1	P2	H3	H4	H5
C1		1.6735	1.0880	1.0883	2.3340
P2	1.6735		2.4696	2.4015	1.4270
H3	1.0880	2.4696		1.8377	2.5434
H4	1.0883	2.4015	1.8377		3.3608
H5	2.3340	1.4270	2.5434	3.3608

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.341		P2	C1	H3	125.501
P2	C1	H4	119.285		H3	C1	H4	115.214

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: TPSSh/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	-0.499
2	P	0.126
3	H	0.200
4	H	0.198
5	H	-0.024

	x	y	z	Total
	-0.575	1.137	0.000	1.274
CHELPG
AIM
ESP

	x	y	z
x	4.364	0.327	0.000
y	0.327	6.648	0.000
z	0.000	0.000	2.903

<r²>	34.583
(<r²>)^1/2	5.881

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: TPSSh/6-31G*

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)