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	hartrees
Energy at 0K	-382.441467
Energy at 298.15K	-382.447086
Nuclear repulsion energy	59.894179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3189	3024	8.52
2	A	3092	2932	13.89
3	A	2434	2308	91.29
4	A	1511	1433	7.19
5	A	1368	1298	0.74
6	A	1149	1090	16.96
7	A	1017	964	53.01
8	A	756	717	0.95
9	A	693	657	6.59
10	A	3179	3014	7.47
11	A	2444	2317	124.19
12	A	1512	1434	9.05
13	A	1058	1003	23.24
14	A	713	676	0.74
15	A	238	226	3.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.070	1.188	0.000
P2	0.070	-0.675	0.000
H3	-0.928	1.628	0.000
H4	0.612	1.542	0.881
H5	0.612	1.542	-0.881
H6	-0.888	-0.860	-1.034
H7	-0.888	-0.860	1.034

	C1	P2	H3	H4	H5	H6	H7
C1		1.8625	1.0914	1.0929	1.0929	2.4861	2.4861
P2	1.8625		2.5096	2.4459	2.4459	1.4215	1.4215
H3	1.0914	2.5096		1.7764	1.7764	2.6942	2.6942
H4	1.0929	2.4459	1.7764		1.7618	3.4182	2.8358
H5	1.0929	2.4459	1.7764	1.7618		2.8358	3.4182
H6	2.4861	1.4215	2.6942	3.4182	2.8358		2.0671
H7	2.4861	1.4215	2.6942	2.8358	3.4182	2.0671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.498	C1	P2	H7	97.498
P2	C1	H3	113.765	P2	C1	H4	108.905
P2	C1	H5	108.905	H3	C1	H4	108.834
H3	C1	H5	108.834	H4	C1	H5	107.411
H6	P2	H7	93.285

All results from a given calculation for CH₃PH₂ (Methyl phosphine)

using model chemistry: mPW1PW91/6-31G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.709
2	P	0.056
3	H	0.204
4	H	0.203
5	H	0.203
6	H	0.022
7	H	0.022

	x	y	z	Total
	-0.788	1.150	0.000	1.394
CHELPG
AIM
ESP

<r²>	44.777
(<r²>)^1/2	6.692

All results from a given calculation for CH3PH2 (Methyl phosphine)

using model chemistry: mPW1PW91/6-31G*

States and conformations

All results from a given calculation for CH₃PH₂ (Methyl phosphine)