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	hartrees
Energy at 0K	-379.330119
Energy at 298.15K	-379.333289
HF Energy	-379.330119
Nuclear repulsion energy	48.680390

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3257	3087	0.49
2	A'	3169	3004	2.66
3	A'	2345	2223	99.89
4	A'	1514	1435	2.76
5	A'	1087	1031	38.00
6	A'	1056	1001	0.13
7	A'	798	757	0.20
8	A"	972	921	91.04
9	A"	893	846	15.46

Atom	x (Å)	y (Å)
C1	0.057	1.065
P2	0.057	-0.594
H3	-0.832	1.691
H4	1.003	1.601
H5	-1.358	-0.772

	C1	P2	H3	H4	H5
C1		1.6590	1.0867	1.0879	2.3183
P2	1.6590		2.4515	2.3904	1.4256
H3	1.0867	2.4515		1.8374	2.5181
H4	1.0879	2.3904	1.8374		3.3473
H5	2.3183	1.4256	2.5181	3.3473

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.162		P2	C1	H3	125.161
P2	C1	H4	119.510		H3	C1	H4	115.328

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: wB97X-D/3-21G*

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	-0.660
2	P	0.186
3	H	0.239
4	H	0.234
5	H	0.002

	x	y	z	Total
	-0.581	1.001	0.000	1.157
CHELPG
AIM
ESP

	x	y	z
x	4.162	0.379	0.000
y	0.379	6.299	0.000
z	0.000	0.000	2.427

<r²>	34.302
(<r²>)^1/2	5.857

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: wB97X-D/3-21G*

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)