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	hartrees
Energy at 0K	-381.207602
Energy at 298.15K	-381.210838
HF Energy	-381.207602
Nuclear repulsion energy	48.861195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3245	0.08
2	A'	3148	3148	1.48
3	A'	2416	2416	74.66
4	A'	1460	1460	3.00
5	A'	1050	1050	9.99
6	A'	1035	1035	16.96
7	A'	751	751	0.88
8	A"	936	936	48.92
9	A"	886	886	24.93

Atom	x (Å)	y (Å)
C1	0.056	1.063
P2	0.056	-0.592
H3	-0.832	1.681
H4	1.000	1.595
H5	-1.350	-0.776

	C1	P2	H3	H4	H5
C1		1.6546	1.0819	1.0837	2.3147
P2	1.6546		2.4400	2.3820	1.4180
H3	1.0819	2.4400		1.8340	2.5107
H4	1.0837	2.3820	1.8340		3.3383
H5	2.3147	1.4180	2.5107	3.3383

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.459		P2	C1	H3	124.835
P2	C1	H4	119.422		H3	C1	H4	115.743

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: M06-2X/aug-cc-pV(T+d)Z

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	-0.428
2	P	0.049
3	H	0.156
4	H	0.147
5	H	0.075

	x	y	z	Total
	-0.479	0.675	0.000	0.827
CHELPG
AIM
ESP

	x	y	z
x	5.506	0.185	0.000
y	0.185	7.558	-0.000
z	0.000	-0.000	4.790

<r²>	34.333
(<r²>)^1/2	5.859

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: M06-2X/aug-cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)