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	hartrees
Energy at 0K	-382.398400
Energy at 298.15K	-382.403985
Nuclear repulsion energy	58.887914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3211	3040	9.07
2	A	3102	2936	17.17
3	A	2278	2156	124.90
4	A	1529	1448	11.72
5	A	1391	1317	1.62
6	A	1121	1061	17.31
7	A	1020	966	53.85
8	A	751	711	2.09
9	A	666	630	3.36
10	A	3208	3037	7.45
11	A	2302	2179	153.49
12	A	1529	1448	12.71
13	A	1061	1004	26.20
14	A	724	686	2.62
15	A	215	203	5.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.071	1.219	0.000
P2	0.071	-0.689	0.000
H3	-0.933	1.645	0.000
H4	0.610	1.564	0.884
H5	0.610	1.564	-0.884
H6	-0.895	-0.875	-1.062
H7	-0.895	-0.875	1.062

	C1	P2	H3	H4	H5	H6	H7
C1		1.9084	1.0904	1.0912	1.0912	2.5393	2.5393
P2	1.9084		2.5405	2.4793	2.4793	1.4475	1.4475
H3	1.0904	2.5405		1.7801	1.7801	2.7348	2.7348
H4	1.0912	2.4793	1.7801		1.7683	3.4641	2.8714
H5	1.0912	2.4793	1.7801	1.7683		2.8714	3.4641
H6	2.5393	1.4475	2.7348	3.4641	2.8714		2.1234
H7	2.5393	1.4475	2.7348	2.8714	3.4641	2.1234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.395	C1	P2	H7	97.395
P2	C1	H3	112.958	P2	C1	H4	108.394
P2	C1	H5	108.394	H3	C1	H4	109.368
H3	C1	H5	109.368	H4	C1	H5	108.247
H6	P2	H7	94.359

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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Number	Element	Mulliken
1	C	-0.764
2	P	0.178
3	H	0.199
4	H	0.202
5	H	0.202
6	H	-0.009
7	H	-0.009

	x	y	z	Total
	-1.035	1.253	0.000	1.625
CHELPG
AIM
ESP

	x	y	z
x	4.220	0.439	0.000
y	0.439	5.344	0.000
z	0.000	0.000	4.758

<r²>	46.184
(<r²>)^1/2	6.796

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)