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	hartrees
Energy at 0K	-380.980816
Energy at 298.15K	-380.983891
HF Energy	-380.980816
Nuclear repulsion energy	48.017723

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	3124	1.91
2	A'	3086	3035	5.34
3	A'	2291	2253	130.53
4	A'	1432	1409	0.38
5	A'	1016	999	34.58
6	A'	976	960	0.76
7	A'	732	720	0.09
8	A"	886	872	41.99
9	A"	833	820	36.14

Atom	x (Å)	y (Å)
C1	0.057	1.082
P2	0.057	-0.603
H3	-0.833	1.722
H4	1.016	1.614
H5	-1.377	-0.782

	C1	P2	H3	H4	H5
C1		1.6853	1.0956	1.0968	2.3519
P2	1.6853		2.4892	2.4160	1.4453
H3	1.0956	2.4892		1.8517	2.5620
H4	1.0968	2.4160	1.8517		3.3866
H5	2.3519	1.4453	2.5620	3.3866

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.102		P2	C1	H3	125.711
P2	C1	H4	119.032		H3	C1	H4	115.257

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: PBEPBEultrafine/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	-0.484
2	P	0.098
3	H	0.196
4	H	0.194
5	H	-0.004

	x	y	z	Total
	-0.570	1.096	0.000	1.235
CHELPG
AIM
ESP

	x	y	z
x	4.451	0.311	-0.000
y	0.311	6.638	0.000
z	-0.000	0.000	2.904

<r²>	34.873
(<r²>)^1/2	5.905

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)