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	hartrees
Energy at 0K	-381.083286
Energy at 298.15K	-381.086410
HF Energy	-381.083286
Nuclear repulsion energy	48.642105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3241	3115	0.37
2	A'	3147	3025	3.97
3	A'	2351	2259	89.41
4	A'	1446	1389	2.64
5	A'	1034	994	18.25
6	A'	1020	980	6.15
7	A'	744	715	0.38
8	A"	917	882	43.62
9	A"	864	831	25.90

Atom	x (Å)	y (Å)
C1	0.057	1.068
P2	0.057	-0.594
H3	-0.830	1.690
H4	1.004	1.597
H5	-1.361	-0.781

	C1	P2	H3	H4	H5
C1		1.6623	1.0829	1.0847	2.3301
P2	1.6623		2.4502	2.3872	1.4301
H3	1.0829	2.4502		1.8359	2.5274
H4	1.0847	2.3872	1.8359		3.3538
H5	2.3301	1.4301	2.5274	3.3538

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.504		P2	C1	H3	125.046
P2	C1	H4	119.187		H3	C1	H4	115.766

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: HSEh1PBE/cc-pVTZ

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	-0.330
2	P	0.036
3	H	0.143
4	H	0.135
5	H	0.016

	x	y	z	Total
	-0.486	0.822	0.000	0.954
CHELPG
AIM
ESP

	x	y	z
x	5.117	0.316	0.000
y	0.316	7.320	0.000
z	0.000	0.000	3.598

<r²>	34.409
(<r²>)^1/2	5.866

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)