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	hartrees
Energy at 0K	-381.152331
Energy at 298.15K	-381.155470
HF Energy	-381.152331
Nuclear repulsion energy	48.632792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3274	3111	0.62
2	A'	3173	3016	2.05
3	A'	2415	2295	113.47
4	A'	1479	1405	0.60
5	A'	1054	1002	33.96
6	A'	1038	987	4.74
7	A'	758	720	0.54
8	A"	942	895	53.85
9	A"	890	846	28.29

Atom	x (Å)	y (Å)
C1	0.056	1.068
P2	0.056	-0.595
H3	-0.832	1.693
H4	1.004	1.600
H5	-1.356	-0.774

	C1	P2	H3	H4	H5
C1		1.6634	1.0855	1.0869	2.3211
P2	1.6634		2.4540	2.3910	1.4236
H3	1.0855	2.4540		1.8381	2.5216
H4	1.0869	2.3910	1.8381		3.3474
H5	2.3211	1.4236	2.5216	3.3474

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.211		P2	C1	H3	125.120
P2	C1	H4	119.289		H3	C1	H4	115.591

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: M06-2X/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	-0.437
2	P	0.168
3	H	0.161
4	H	0.158
5	H	-0.051

	x	y	z	Total
	-0.562	0.948	0.000	1.102
CHELPG
AIM
ESP

	x	y	z
x	4.415	0.309	0.000
y	0.309	6.665	0.000
z	0.000	0.000	2.909

<r²>	34.342
(<r²>)^1/2	5.860

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: M06-2X/6-31G**

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)