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	hartrees
Energy at 0K	-381.192688
Energy at 298.15K	-381.195822
HF Energy	-381.192688
Nuclear repulsion energy	47.687352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3273	3147	5.75
2	A'	3164	3041	5.95
3	A'	2202	2117	128.06
4	A'	1482	1425	4.65
5	A'	1062	1021	35.95
6	A'	973	936	0.23
7	A'	792	761	0.33
8	A"	958	921	122.91
9	A"	863	830	15.29

Atom	x (Å)	y (Å)
C1	0.058	1.095
P2	0.058	-0.608
H3	-0.833	1.719
H4	1.005	1.631
H5	-1.384	-0.800

	C1	P2	H3	H4	H5
C1		1.7033	1.0878	1.0885	2.3812
P2	1.7033		2.4921	2.4312	1.4541
H3	1.0878	2.4921		1.8406	2.5790
H4	1.0885	2.4312	1.8406		3.4084
H5	2.3812	1.4541	2.5790	3.4084

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.596		P2	C1	H3	125.012
P2	C1	H4	119.485		H3	C1	H4	115.504

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: B3LYP/SDD

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	-0.812
2	P	0.362
3	H	0.250
4	H	0.248
5	H	-0.048

	x	y	z	Total
	-0.607	0.927	0.000	1.108
CHELPG
AIM
ESP

	x	y	z
x	4.303	0.375	0.000
y	0.375	7.022	0.000
z	0.000	0.000	2.296

<r²>	35.503
(<r²>)^1/2	5.958

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)