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	hartrees
Energy at 0K	-382.438491
Energy at 298.15K	-382.444049
HF Energy	-382.438491
Nuclear repulsion energy	60.092218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3153	3014	3.58
2	A'	3064	2928	9.28
3	A'	2439	2331	53.88
4	A'	1477	1412	5.08
5	A'	1321	1262	0.21
6	A'	1122	1072	17.00
7	A'	983	940	35.60
8	A'	732	699	1.74
9	A'	681	651	9.34
10	A"	3146	3006	3.56
11	A"	2442	2334	68.87
12	A"	1477	1411	5.55
13	A"	1032	986	18.50
14	A"	679	649	0.81
15	A"	211	202	1.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.070	1.184	0.000
P2	0.070	-0.672	0.000
H3	-0.927	1.617	0.000
H4	0.609	1.531	0.880
H5	0.609	1.531	-0.880
H6	-0.881	-0.855	-1.030
H7	-0.881	-0.855	1.030

	C1	P2	H3	H4	H5	H6	H7
C1		1.8558	1.0868	1.0883	1.0883	2.4747	2.4747
P2	1.8558		2.4963	2.4320	2.4320	1.4140	1.4140
H3	1.0868	2.4963		1.7723	1.7723	2.6783	2.6783
H4	1.0883	2.4320	1.7723		1.7591	3.3999	2.8171
H5	1.0883	2.4320	1.7723	1.7591		2.8171	3.3999
H6	2.4747	1.4140	2.6783	3.3999	2.8171		2.0597
H7	2.4747	1.4140	2.6783	2.8171	3.3999	2.0597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.453	C1	P2	H7	97.453
P2	C1	H3	113.464	P2	C1	H4	108.569
P2	C1	H5	108.569	H3	C1	H4	109.129
H3	C1	H5	109.129	H4	C1	H5	107.830
H6	P2	H7	93.496

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

using model chemistry: M06-2X/aug-cc-pVTZ

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	-0.895
2	P	-0.275
3	H	0.300
4	H	0.307
5	H	0.307
6	H	0.128
7	H	0.128

	x	y	z	Total
	-0.568	0.991	0.000	1.142
CHELPG
AIM
ESP

	x	y	z
x	5.926	0.119	0.000
y	0.119	7.179	0.000
z	0.000	0.000	5.779

<r²>	44.803
(<r²>)^1/2	6.694

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

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

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