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	hartrees
Energy at 0K	-381.046034
Energy at 298.15K	-381.049166
HF Energy	-381.046034
Nuclear repulsion energy	48.581771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3246	3112	1.42
2	A'	3152	3022	6.68
3	A'	2347	2249	111.82
4	A'	1474	1412	2.36
5	A'	1054	1010	36.89
6	A'	1027	984	1.90
7	A'	764	732	0.09
8	A"	924	885	55.98
9	A"	868	832	42.66

Atom	x (Å)	y (Å)
C1	0.057	1.069
P2	0.057	-0.595
H3	-0.829	1.697
H4	1.004	1.601
H5	-1.363	-0.781

	C1	P2	H3	H4	H5
C1		1.6638	1.0857	1.0869	2.3311
P2	1.6638		2.4571	2.3919	1.4311
H3	1.0857	2.4571		1.8357	2.5343
H4	1.0869	2.3919	1.8357		3.3577
H5	2.3311	1.4311	2.5343	3.3577

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.449		P2	C1	H3	125.349
P2	C1	H4	119.322		H3	C1	H4	115.329

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: PBE1PBE/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	-0.718
2	P	0.162
3	H	0.259
4	H	0.258
5	H	0.040

	x	y	z	Total
	-0.552	0.886	0.000	1.044
CHELPG
AIM
ESP

	x	y	z
x	4.735	0.313	0.000
y	0.313	6.999	0.000
z	0.000	0.000	2.746

<r²>	34.647
(<r²>)^1/2	5.886

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: PBE1PBE/6-311G*

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)