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	hartrees
Energy at 0K	-381.171641
Energy at 298.15K	-381.174767
HF Energy	-381.171641
Nuclear repulsion energy	48.442520

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3266	3266	0.24
2	A'	3155	3155	2.11
3	A'	2355	2355	98.94
4	A'	1435	1435	1.92
5	A'	1041	1041	11.37
6	A'	1028	1028	13.09
7	A'	746	746	0.11
8	A"	916	916	48.09
9	A"	876	876	23.36

Atom	x (Å)	y (Å)
C1	0.057	1.071
P2	0.057	-0.597
H3	-0.838	1.698
H4	1.013	1.604
H5	-1.367	-0.775

	C1	P2	H3	H4	H5
C1		1.6678	1.0927	1.0945	2.3306
P2	1.6678		2.4628	2.3992	1.4345
H3	1.0927	2.4628		1.8537	2.5279
H4	1.0945	2.3992	1.8537		3.3641
H5	2.3306	1.4345	2.5279	3.3641

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.115		P2	C1	H3	124.991
P2	C1	H4	119.120		H3	C1	H4	115.889

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: M06-2X/cc-pVDZ

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	-0.224
2	P	0.084
3	H	0.075
4	H	0.077
5	H	-0.012

	x	y	z	Total
	-0.472	0.712	0.000	0.854
CHELPG
AIM
ESP

	x	y	z
x	4.700	0.431	0.000
y	0.431	6.782	0.000
z	0.000	0.000	2.702

<r²>	34.504
(<r²>)^1/2	5.874

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: M06-2X/cc-pVDZ

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)