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	hartrees
Energy at 0K	-379.184873
Energy at 298.15K	-379.188028
HF Energy	-379.184873
Nuclear repulsion energy	48.565473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3247	3117	0.79
2	A'	3157	3031	3.84
3	A'	2388	2292	100.20
4	A'	1503	1443	1.72
5	A'	1073	1030	37.76
6	A'	1042	1000	0.20
7	A'	783	751	0.13
8	A"	956	918	82.59
9	A"	886	850	22.67

Atom	x (Å)	y (Å)
C1	0.057	1.069
P2	0.057	-0.596
H3	-0.831	1.697
H4	1.004	1.605
H5	-1.361	-0.777

	C1	P2	H3	H4	H5
C1		1.6644	1.0872	1.0888	2.3272
P2	1.6644		2.4585	2.3963	1.4292
H3	1.0872	2.4585		1.8368	2.5302
H4	1.0888	2.3963	1.8368		3.3568
H5	2.3272	1.4292	2.5302	3.3568

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.281		P2	C1	H3	125.311
P2	C1	H4	119.532		H3	C1	H4	115.157

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: HSEh1PBE/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	-0.667
2	P	0.184
3	H	0.239
4	H	0.235
5	H	0.009

	x	y	z	Total
	-0.569	0.990	0.000	1.142
CHELPG
AIM
ESP

	x	y	z
x	4.176	0.357	0.000
y	0.357	6.293	0.000
z	0.000	0.000	2.451

<r²>	34.425
(<r²>)^1/2	5.867

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: HSEh1PBE/3-21G*

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)