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	hartrees
Energy at 0K	-382.214441
Energy at 298.15K	-382.219984
Nuclear repulsion energy	59.392996

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3100	3058	8.17
2	A	3002	2961	12.83
3	A	2319	2287	80.75
4	A	1443	1423	6.10
5	A	1296	1278	0.27
6	A	1087	1072	14.92
7	A	970	957	47.79
8	A	725	715	0.71
9	A	656	647	6.46
10	A	3091	3049	6.96
11	A	2334	2302	105.80
12	A	1444	1425	7.58
13	A	1012	998	20.25
14	A	684	674	0.40
15	A	233	230	3.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.072	1.198	0.000
P2	0.072	-0.680	0.000
H3	-0.932	1.646	0.000
H4	0.620	1.549	0.887
H5	0.620	1.549	-0.887
H6	-0.906	-0.862	-1.038
H7	-0.906	-0.862	1.038

	C1	P2	H3	H4	H5	H6	H7
C1		1.8780	1.0994	1.1009	1.1009	2.5046	2.5046
P2	1.8780		2.5337	2.4616	2.4616	1.4370	1.4370
H3	1.0994	2.5337		1.7906	1.7906	2.7141	2.7141
H4	1.1009	2.4616	1.7906		1.7747	3.4419	2.8572
H5	1.1009	2.4616	1.7906	1.7747		2.8572	3.4419
H6	2.5046	1.4370	2.7141	3.4419	2.8572		2.0753
H7	2.5046	1.4370	2.7141	2.8572	3.4419	2.0753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.250	C1	P2	H7	97.250
P2	C1	H3	114.072	P2	C1	H4	108.628
P2	C1	H5	108.628	H3	C1	H4	108.942
H3	C1	H5	108.942	H4	C1	H5	107.427
H6	P2	H7	92.455

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

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	C	-0.546
2	P	0.073
3	H	0.154
4	H	0.154
5	H	0.154
6	H	0.005
7	H	0.005

	x	y	z	Total
	-0.783	1.162	0.000	1.401
CHELPG
AIM
ESP

	x	y	z
x	4.421	0.347	0.000
y	0.347	5.527	0.000
z	0.000	0.000	4.758

<r²>	45.293
(<r²>)^1/2	6.730

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

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

States and conformations

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