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	hartrees
Energy at 0K	-381.038721
Energy at 298.15K	-381.041845
HF Energy	-381.038721
Nuclear repulsion energy	48.490216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	3122	0.66
2	A'	3173	3028	3.68
3	A'	2374	2266	122.17
4	A'	1467	1400	0.92
5	A'	1045	997	35.95
6	A'	1021	974	1.49
7	A'	752	717	0.29
8	A"	927	885	49.59
9	A"	869	829	31.10

Atom	x (Å)	y (Å)
C1	0.056	1.072
P2	0.056	-0.597
H3	-0.829	1.701
H4	1.007	1.601
H5	-1.362	-0.783

	C1	P2	H3	H4	H5
C1		1.6684	1.0863	1.0876	2.3351
P2	1.6684		2.4621	2.3940	1.4305
H3	1.0863	2.4621		1.8388	2.5404
H4	1.0876	2.3940	1.8388		3.3606
H5	2.3351	1.4305	2.5404	3.3606

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.497		P2	C1	H3	125.375
P2	C1	H4	119.099		H3	C1	H4	115.526

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: HSEh1PBE/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	-0.441
2	P	0.145
3	H	0.169
4	H	0.167
5	H	-0.040

	x	y	z	Total
	-0.592	1.079	0.000	1.231
CHELPG
AIM
ESP

	x	y	z
x	4.393	0.332	0.000
y	0.332	6.680	0.000
z	0.000	0.000	2.941

<r²>	34.433
(<r²>)^1/2	5.868

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)