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	hartrees
Energy at 0K	-380.989460
Energy at 298.15K	-380.992537
HF Energy	-380.989460
Nuclear repulsion energy	48.006342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3175	3139	0.95
2	A'	3080	3045	5.13
3	A'	2277	2251	118.51
4	A'	1411	1395	1.27
5	A'	1008	996	34.73
6	A'	971	960	2.82
7	A'	731	723	0.03
8	A"	882	872	57.29
9	A"	829	820	33.25

Atom	x (Å)	y (Å)
C1	0.057	1.083
P2	0.057	-0.603
H3	-0.835	1.719
H4	1.016	1.615
H5	-1.376	-0.780

	C1	P2	H3	H4	H5
C1		1.6866	1.0951	1.0964	2.3507
P2	1.6866		2.4878	2.4168	1.4437
H3	1.0951	2.4878		1.8530	2.5576
H4	1.0964	2.4168	1.8530		3.3849
H5	2.3507	1.4437	2.5576	3.3849

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.041		P2	C1	H3	125.511
P2	C1	H4	119.025		H3	C1	H4	115.464

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: PBEPBE/6-31+G**

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	-0.460
2	P	0.098
3	H	0.193
4	H	0.191
5	H	-0.022

	x	y	z	Total
	-0.572	0.894	0.000	1.061
CHELPG
AIM
ESP

	x	y	z
x	4.933	0.254	0.000
y	0.254	7.697	0.000
z	0.000	0.000	3.910

<r²>	35.233
(<r²>)^1/2	5.936

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: PBEPBE/6-31+G**

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)