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	hartrees
Energy at 0K	-380.339397
Energy at 298.15K	-380.342605
HF Energy	-380.339397
Nuclear repulsion energy	49.047485

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3371	3069	0.33
2	A'	3282	2988	5.48
3	A'	2483	2260	114.62
4	A'	1577	1435	3.17
5	A'	1117	1016	30.86
6	A'	1083	986	0.39
7	A'	796	725	2.31
8	A"	1026	934	66.38
9	A"	937	853	14.48

Atom	x (Å)	y (Å)
C1	0.056	1.061
P2	0.056	-0.588
H3	-0.826	1.672
H4	0.991	1.591
H5	-1.340	-0.812

	C1	P2	H3	H4	H5
C1		1.6488	1.0732	1.0748	2.3364
P2	1.6488		2.4259	2.3706	1.4142
H3	1.0732	2.4259		1.8195	2.5369
H4	1.0748	2.3706	1.8195		3.3481
H5	2.3364	1.4142	2.5369	3.3481

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	99.134		P2	C1	H3	124.702
P2	C1	H4	119.517		H3	C1	H4	115.781

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: HF/aug-cc-pVTZ

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	-1.006
2	P	-0.051
3	H	0.482
4	H	0.524
5	H	0.051

	x	y	z	Total
	-0.582	0.899	0.000	1.071
CHELPG
AIM
ESP

	x	y	z
x	5.452	0.249	0.000
y	0.249	7.969	0.000
z	0.000	0.000	5.054

<r²>	34.358
(<r²>)^1/2	5.862

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: HF/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)