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	hartrees
Energy at 0K	-380.310329
Energy at 298.15K	-380.313532
HF Energy	-380.310329
Nuclear repulsion energy	48.759378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3398	3085	0.32
2	A'	3300	2996	6.51
3	A'	2483	2254	136.44
4	A'	1561	1417	2.08
5	A'	1114	1012	29.44
6	A'	1087	987	0.71
7	A'	798	725	0.89
8	A"	1014	921	56.66
9	A"	934	848	18.64

Atom	x (Å)	y (Å)
C1	0.056	1.066
P2	0.056	-0.591
H3	-0.832	1.686
H4	1.003	1.596
H5	-1.352	-0.809

	C1	P2	H3	H4	H5
C1		1.6567	1.0835	1.0851	2.3448
P2	1.6567		2.4444	2.3834	1.4249
H3	1.0835	2.4444		1.8368	2.5492
H4	1.0851	2.3834	1.8368		3.3661
H5	2.3448	1.4249	2.5492	3.3661

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	98.810		P2	C1	H3	124.948
P2	C1	H4	119.284		H3	C1	H4	115.768

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: HF/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	-0.229
2	P	0.108
3	H	0.080
4	H	0.081
5	H	-0.039

	x	y	z	Total
	-0.547	0.930	0.000	1.079
CHELPG
AIM
ESP

	x	y	z
x	4.533	0.470	0.000
y	0.470	7.144	0.000
z	0.000	0.000	2.707

<r²>	34.440
(<r²>)^1/2	5.869

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: HF/cc-pVDZ

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)