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	hartrees
Energy at 0K	-381.270318
Energy at 298.15K	-381.273439
HF Energy	-381.270318
Nuclear repulsion energy	48.518741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3111	1.54
2	A'	3124	3025	6.56
3	A'	2344	2270	93.61
4	A'	1461	1414	1.30
5	A'	1038	1005	23.13
6	A'	1006	974	1.32
7	A'	738	715	0.61
8	A"	919	890	41.24
9	A"	864	837	23.65

Atom	x (Å)	y (Å)
C1	0.056	1.070
P2	0.056	-0.596
H3	-0.829	1.696
H4	1.003	1.602
H5	-1.359	-0.779

	C1	P2	H3	H4	H5
C1		1.6666	1.0840	1.0851	2.3289
P2	1.6666		2.4570	2.3928	1.4272
H3	1.0840	2.4570		1.8341	2.5308
H4	1.0851	2.3928	1.8341		3.3533
H5	2.3289	1.4272	2.5308	3.3533

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.358		P2	C1	H3	125.227
P2	C1	H4	119.311		H3	C1	H4	115.462

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: TPSSh/cc-pVTZ

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	-0.299
2	P	0.065
3	H	0.127
4	H	0.118
5	H	-0.011

	x	y	z	Total
	-0.485	0.868	0.000	0.994
CHELPG
AIM
ESP

	x	y	z
x	5.106	0.306	0.000
y	0.306	7.330	0.000
z	0.000	0.000	3.596

<r²>	34.512
(<r²>)^1/2	5.875

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)