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	hartrees
Energy at 0K	-382.401622
Energy at 298.15K	-382.407221
Nuclear repulsion energy	59.792876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3171	3040	8.58
2	A	3071	2943	13.74
3	A	2401	2301	83.85
4	A	1484	1422	6.37
5	A	1342	1286	0.48
6	A	1126	1079	17.44
7	A	1002	961	50.29
8	A	747	716	0.82
9	A	682	653	6.82
10	A	3160	3029	7.48
11	A	2412	2312	113.51
12	A	1487	1425	8.12
13	A	1044	1000	21.90
14	A	705	675	0.68
15	A	234	225	3.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.071	1.191	0.000
P2	0.071	-0.676	0.000
H3	-0.928	1.631	0.000
H4	0.613	1.543	0.882
H5	0.613	1.543	-0.882
H6	-0.890	-0.864	-1.034
H7	-0.890	-0.864	1.034

	C1	P2	H3	H4	H5	H6	H7
C1		1.8665	1.0918	1.0933	1.0933	2.4928	2.4928
P2	1.8665		2.5139	2.4481	2.4481	1.4242	1.4242
H3	1.0918	2.5139		1.7781	1.7781	2.7011	2.7011
H4	1.0933	2.4481	1.7781		1.7630	3.4237	2.8416
H5	1.0933	2.4481	1.7781	1.7630		2.8416	3.4237
H6	2.4928	1.4242	2.7011	3.4237	2.8416		2.0688
H7	2.4928	1.4242	2.7011	2.8416	3.4237	2.0688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.587	C1	P2	H7	97.587
P2	C1	H3	113.787	P2	C1	H4	108.776
P2	C1	H5	108.776	H3	C1	H4	108.928
H3	C1	H5	108.928	H4	C1	H5	107.461
H6	P2	H7	93.156

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

using model chemistry: B3PW91/6-31G**

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	-0.582
2	P	0.124
3	H	0.161
4	H	0.160
5	H	0.160
6	H	-0.012
7	H	-0.012

	x	y	z	Total
	-0.774	1.141	0.000	1.378
CHELPG
AIM
ESP

<r²>	44.865
(<r²>)^1/2	6.698

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

using model chemistry: B3PW91/6-31G**

States and conformations

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