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	hartrees
Energy at 0K	-381.254896
Energy at 298.15K	-381.258022
HF Energy	-381.254896
Nuclear repulsion energy	48.460039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3109	2.77
2	A'	3130	3024	8.73
3	A'	2313	2235	126.38
4	A'	1477	1427	1.69
5	A'	1055	1020	38.21
6	A'	1005	971	0.59
7	A'	767	741	0.09
8	A"	918	887	55.12
9	A"	862	833	40.24

Atom	x (Å)	y (Å)
C1	0.057	1.073
P2	0.057	-0.597
H3	-0.828	1.701
H4	1.003	1.606
H5	-1.362	-0.787

	C1	P2	H3	H4	H5
C1		1.6698	1.0849	1.0862	2.3394
P2	1.6698		2.4627	2.3979	1.4317
H3	1.0849	2.4627		1.8328	2.5454
H4	1.0862	2.3979	1.8328		3.3648
H5	2.3394	1.4317	2.5454	3.3648

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.629		P2	C1	H3	125.417
P2	C1	H4	119.414		H3	C1	H4	115.169

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: B3LYP/6-311G*

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	-0.683
2	P	0.184
3	H	0.241
4	H	0.240
5	H	0.019

	x	y	z	Total
	-0.492	0.848	0.000	0.980
CHELPG
AIM
ESP

	x	y	z
x	4.778	0.340	0.000
y	0.340	7.013	-0.001
z	0.000	-0.001	2.771

<r²>	34.876
(<r²>)^1/2	5.906

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: B3LYP/6-311G*

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)