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	hartrees
Energy at 0K	-382.448704
Energy at 298.15K	-382.454318
Nuclear repulsion energy	59.903502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3035	7.78
2	A	3088	2938	13.11
3	A	2422	2305	81.57
4	A	1492	1419	6.61
5	A	1350	1285	0.64
6	A	1133	1078	17.37
7	A	1008	959	50.34
8	A	751	715	1.02
9	A	690	656	6.65
10	A	3180	3025	6.65
11	A	2433	2315	111.45
12	A	1494	1422	8.43
13	A	1050	999	22.62
14	A	708	674	0.75
15	A	237	225	3.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.070	1.189	0.000
P2	0.070	-0.674	0.000
H3	-0.927	1.628	0.000
H4	0.612	1.540	0.880
H5	0.612	1.540	-0.880
H6	-0.887	-0.865	-1.034
H7	-0.887	-0.865	1.034

	C1	P2	H3	H4	H5	H6	H7
C1		1.8626	1.0903	1.0918	1.0918	2.4901	2.4901
P2	1.8626		2.5092	2.4437	2.4437	1.4216	1.4216
H3	1.0903	2.5092		1.7754	1.7754	2.6993	2.6993
H4	1.0918	2.4437	1.7754		1.7605	3.4196	2.8380
H5	1.0918	2.4437	1.7754	1.7605		2.8380	3.4196
H6	2.4901	1.4216	2.6993	3.4196	2.8380		2.0675
H7	2.4901	1.4216	2.6993	2.8380	3.4196	2.0675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.713	C1	P2	H7	97.713
P2	C1	H3	113.790	P2	C1	H4	108.796
P2	C1	H5	108.796	H3	C1	H4	108.907
H3	C1	H5	108.907	H4	C1	H5	107.459
H6	P2	H7	93.306

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	-0.593
2	P	0.123
3	H	0.164
4	H	0.163
5	H	0.163
6	H	-0.010
7	H	-0.010

	x	y	z	Total
	-0.787	1.144	0.000	1.389
CHELPG
AIM
ESP

<r²>	44.752
(<r²>)^1/2	6.690

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)