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	hartrees
Energy at 0K	-381.245405
Energy at 298.15K	-381.248523
HF Energy	-381.245405
Nuclear repulsion energy	48.165827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3134	0.71
2	A'	3132	3039	4.84
3	A'	2322	2254	95.95
4	A'	1442	1399	2.30
5	A'	1027	997	20.71
6	A'	992	963	1.81
7	A'	751	729	0.72
8	A"	918	891	52.52
9	A"	852	826	17.24

Atom	x (Å)	y (Å)
C1	0.057	1.080
P2	0.057	-0.601
H3	-0.836	1.707
H4	1.011	1.613
H5	-1.372	-0.790

	C1	P2	H3	H4	H5
C1		1.6803	1.0913	1.0926	2.3536
P2	1.6803		2.4740	2.4100	1.4419
H3	1.0913	2.4740		1.8496	2.5535
H4	1.0926	2.4100	1.8496		3.3842
H5	2.3536	1.4419	2.5535	3.3842

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.556		P2	C1	H3	125.055
P2	C1	H4	119.190		H3	C1	H4	115.755

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

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	0.606
2	P	0.025
3	H	-0.409
4	H	-0.403
5	H	0.182

	x	y	z	Total
	-0.459	0.800	0.000	0.922
CHELPG
AIM
ESP

	x	y	z
x	5.716	0.253	0.000
y	0.253	7.990	0.000
z	0.000	0.000	4.941

<r²>	35.110
(<r²>)^1/2	5.925

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)