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	hartrees
Energy at 0K	-380.946271
Energy at 298.15K	-380.949357
HF Energy	-380.946271
Nuclear repulsion energy	47.225007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3212	3167	2.61
2	A'	3105	3062	3.92
3	A'	2150	2121	169.81
4	A'	1448	1428	0.88
5	A'	1018	1004	40.98
6	A'	936	924	0.44
7	A'	752	741	1.27
8	A"	909	896	91.29
9	A"	831	819	14.52

Atom	x (Å)	y (Å)
C1	0.058	1.107
P2	0.058	-0.615
H3	-0.837	1.735
H4	1.017	1.636
H5	-1.405	-0.790

	C1	P2	H3	H4	H5
C1		1.7214	1.0942	1.0948	2.3956
P2	1.7214		2.5150	2.4462	1.4740
H3	1.0942	2.5150		1.8564	2.5885
H4	1.0948	2.4462	1.8564		3.4279
H5	2.3956	1.4740	2.5885	3.4279

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	96.824		P2	C1	H3	125.083
P2	C1	H4	118.915		H3	C1	H4	116.002

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: PBEPBE/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	-0.590
2	P	0.248
3	H	0.193
4	H	0.196
5	H	-0.047

	x	y	z	Total
	-0.692	1.270	0.000	1.446
CHELPG
AIM
ESP

	x	y	z
x	4.531	0.368	0.000
y	0.368	6.732	0.000
z	0.000	0.000	2.737

<r²>	35.842
(<r²>)^1/2	5.987

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: PBEPBE/6-31G

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)