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	hartrees
Energy at 0K	-13.488567
Energy at 298.15K	-13.491776
HF Energy	-13.488567
Nuclear repulsion energy	15.698879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3393	3096	3.26
2	A'	3276	2990	4.80
3	A'	2397	2187	172.38
4	A'	1581	1443	3.95
5	A'	1127	1028	49.20
6	A'	1020	931	0.33
7	A'	825	753	1.91
8	A"	1039	948	111.86
9	A"	921	841	15.67

Atom	x (Å)	y (Å)
C1	0.057	1.093
P2	0.057	-0.604
H3	-0.827	1.707
H4	0.995	1.622
H5	-1.370	-0.824

	C1	P2	H3	H4	H5
C1		1.6971	1.0769	1.0770	2.3898
P2	1.6971		2.4749	2.4160	1.4444
H3	1.0769	2.4749		1.8244	2.5886
H4	1.0770	2.4160	1.8244		3.4027
H5	2.3898	1.4444	2.5886	3.4027

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	98.740		P2	C1	H3	124.784
P2	C1	H4	119.440		H3	C1	H4	115.776

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: HF/CEP-121G

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	-0.577
2	P	0.282
3	H	0.195
4	H	0.198
5	H	-0.098

	x	y	z	Total
	-0.766	1.284	0.000	1.496
CHELPG
AIM
ESP

	x	y	z
x	4.697	0.447	0.000
y	0.447	8.035	0.000
z	0.000	0.000	3.188

<r²>	28.968
(<r²>)^1/2	5.382

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)