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	hartrees
Energy at 0K	-381.014872
Energy at 298.15K	-381.018002
HF Energy	-381.014872
Nuclear repulsion energy	48.483832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3276	3122	0.80
2	A'	3182	3033	4.14
3	A'	2389	2277	133.79
4	A'	1483	1414	0.89
5	A'	1052	1003	37.78
6	A'	1026	978	0.99
7	A'	758	722	0.24
8	A"	930	887	52.91
9	A"	871	831	32.09

Atom	x (Å)	y (Å)
C1	0.056	1.072
P2	0.056	-0.597
H3	-0.829	1.702
H4	1.006	1.603
H5	-1.361	-0.782

	C1	P2	H3	H4	H5
C1		1.6684	1.0873	1.0884	2.3339
P2	1.6684		2.4636	2.3960	1.4299
H3	1.0873	2.4636		1.8385	2.5405
H4	1.0884	2.3960	1.8385		3.3608
H5	2.3339	1.4299	2.5405	3.3608

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.451		P2	C1	H3	125.436
P2	C1	H4	119.219		H3	C1	H4	115.345

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: PBE1PBE/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	-0.531
2	P	0.123
3	H	0.212
4	H	0.210
5	H	-0.014

	x	y	z	Total
	-0.598	1.090	0.000	1.243
CHELPG
AIM
ESP

	x	y	z
x	4.352	0.327	0.000
y	0.327	6.628	0.000
z	0.000	0.000	2.898

<r²>	34.451
(<r²>)^1/2	5.869

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: PBE1PBE/6-31G**

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)