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	hartrees
Energy at 0K	-381.219506
Energy at 298.15K	-381.222594
HF Energy	-381.219506
Nuclear repulsion energy	48.049194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	3124	2.82
2	A'	3050	3038	7.65
3	A'	2239	2230	115.31
4	A'	1422	1416	0.81
5	A'	1018	1014	32.59
6	A'	959	955	0.80
7	A'	740	738	0.04
8	A"	885	881	49.54
9	A"	833	830	35.61

Atom	x (Å)	y (Å)
C1	0.057	1.083
P2	0.057	-0.603
H3	-0.831	1.716
H4	1.011	1.615
H5	-1.374	-0.789

	C1	P2	H3	H4	H5
C1		1.6859	1.0908	1.0923	2.3566
P2	1.6859		2.4833	2.4143	1.4431
H3	1.0908	2.4833		1.8450	2.5636
H4	1.0923	2.4143	1.8450		3.3866
H5	2.3566	1.4431	2.5636	3.3866

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.422		P2	C1	H3	125.483
P2	C1	H4	119.142		H3	C1	H4	115.375

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: BLYP/6-311G**

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	-0.465
2	P	0.208
3	H	0.146
4	H	0.144
5	H	-0.033

	x	y	z	Total
	-0.449	0.821	0.000	0.936
CHELPG
AIM
ESP

	x	y	z
x	4.998	0.316	0.000
y	0.316	7.212	0.000
z	0.000	0.000	2.867

<r²>	35.310
(<r²>)^1/2	5.942

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)