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	hartrees
Energy at 0K	-382.511042
Energy at 298.15K	-382.516633
HF Energy	-382.511042
Nuclear repulsion energy	59.948542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3127	3010	8.88
2	A'	3043	2929	13.90
3	A'	2376	2287	64.72
4	A'	1474	1419	4.86
5	A'	1328	1279	0.06
6	A'	1120	1078	15.71
7	A'	996	959	36.29
8	A'	741	713	0.20
9	A'	670	645	9.73
10	A"	3113	2997	8.52
11	A"	2380	2291	84.31
12	A"	1479	1424	5.85
13	A"	1036	997	16.77
14	A"	700	673	0.52
15	A"	233	225	1.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.070	1.187	0.000
P2	0.070	-0.673	0.000
H3	-0.926	1.625	0.000
H4	0.610	1.537	0.880
H5	0.610	1.537	-0.880
H6	-0.884	-0.863	-1.031
H7	-0.884	-0.863	1.031

	C1	P2	H3	H4	H5	H6	H7
C1		1.8604	1.0881	1.0896	1.0896	2.4851	2.4851
P2	1.8604		2.5046	2.4392	2.4392	1.4178	1.4178
H3	1.0881	2.5046		1.7722	1.7722	2.6928	2.6928
H4	1.0896	2.4392	1.7722		1.7591	3.4119	2.8307
H5	1.0896	2.4392	1.7722	1.7591		2.8307	3.4119
H6	2.4851	1.4178	2.6928	3.4119	2.8307		2.0625
H7	2.4851	1.4178	2.6928	2.8307	3.4119	2.0625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.675	C1	P2	H7	97.675
P2	C1	H3	113.704	P2	C1	H4	108.726
P2	C1	H5	108.726	H3	C1	H4	108.933
H3	C1	H5	108.933	H4	C1	H5	107.650
H6	P2	H7	93.331

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

using model chemistry: B3LYP/Def2TZVPP

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	-0.339
2	P	-0.014
3	H	0.111
4	H	0.111
5	H	0.111
6	H	0.010
7	H	0.010

	x	y	z	Total
	-0.524	1.017	0.000	1.144
CHELPG
AIM
ESP

	x	y	z
x	5.350	0.260	0.000
y	0.260	6.664	0.000
z	0.000	0.000	5.511

<r²>	45.001
(<r²>)^1/2	6.708

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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