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	hartrees
Energy at 0K	-381.229241
Energy at 298.15K	-381.232381
HF Energy	-381.229241
Nuclear repulsion energy	48.756805

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3246	3105	0.19
2	A'	3155	3018	3.70
3	A'	2352	2250	87.61
4	A'	1460	1397	3.80
5	A'	1051	1005	18.61
6	A'	1033	988	7.32
7	A'	759	726	0.76
8	A"	928	887	55.85
9	A"	874	836	14.17

Atom	x (Å)	y (Å)
C1	0.056	1.064
P2	0.056	-0.593
H3	-0.831	1.684
H4	1.001	1.595
H5	-1.356	-0.776

	C1	P2	H3	H4	H5
C1		1.6571	1.0821	1.0833	2.3202
P2	1.6571		2.4434	2.3826	1.4246
H3	1.0821	2.4434		1.8339	2.5156
H4	1.0833	2.3826	1.8339		3.3433
H5	2.3202	1.4246	2.5156	3.3433

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.394		P2	C1	H3	124.930
P2	C1	H4	119.309		H3	C1	H4	115.761

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: wB97X-D/aug-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	-0.935
2	P	-0.002
3	H	0.401
4	H	0.416
5	H	0.119

	x	y	z	Total
	-0.515	0.823	0.000	0.971
CHELPG
AIM
ESP

	x	y	z
x	5.658	0.222	0.001
y	0.222	7.786	0.000
z	0.001	0.000	5.019

<r²>	34.352
(<r²>)^1/2	5.861

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)