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	hartrees
Energy at 0K	-380.339519
Energy at 298.15K	-380.342721
HF Energy	-380.339519
Nuclear repulsion energy	49.052534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3372	3050	0.32
2	A'	3284	2970	5.47
3	A'	2482	2245	114.72
4	A'	1577	1427	3.15
5	A'	1117	1010	30.87
6	A'	1084	981	0.40
7	A'	797	721	2.28
8	A"	1027	929	66.22
9	A"	937	847	14.65

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	-1.341	-0.812

	C1	P2	H3	H4	H5
C1		1.6485	1.0731	1.0747	2.3359
P2	1.6485		2.4260	2.3705	1.4144
H3	1.0731	2.4260		1.8188	2.5367
H4	1.0747	2.3705	1.8188		3.3477
H5	2.3359	1.4144	2.5367	3.3477

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	99.111		P2	C1	H3	124.737
P2	C1	H4	119.531		H3	C1	H4	115.732

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: HF/daug-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	-1.706
2	P	-0.599
3	H	0.913
4	H	1.264
5	H	0.127

	x	y	z	Total
	-0.581	0.899	0.000	1.070
CHELPG
AIM
ESP

	x	y	z
x	5.477	0.247	0.000
y	0.247	7.968	0.000
z	0.000	0.000	5.068

<r²>	34.351
(<r²>)^1/2	5.861

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)