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	hartrees
Energy at 0K	-382.227105
Energy at 298.15K	-382.232628
Nuclear repulsion energy	59.154248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3089	3071	5.96
2	A	2985	2968	13.28
3	A	2292	2279	66.62
4	A	1398	1390	4.91
5	A	1247	1239	0.19
6	A	1057	1051	13.30
7	A	948	943	35.47
8	A	716	712	0.35
9	A	651	647	8.36
10	A	3079	3061	5.12
11	A	2307	2293	84.86
12	A	1399	1391	5.94
13	A	990	984	16.58
14	A	673	669	0.05
15	A	232	231	1.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.072	1.200	0.000
P2	0.072	-0.682	0.000
H3	-0.938	1.650	0.000
H4	0.625	1.551	0.894
H5	0.625	1.551	-0.894
H6	-0.916	-0.859	-1.042
H7	-0.916	-0.859	1.042

	C1	P2	H3	H4	H5	H6	H7
C1		1.8825	1.1063	1.1081	1.1081	2.5107	2.5107
P2	1.8825		2.5418	2.4680	2.4680	1.4475	1.4475
H3	1.1063	2.5418		1.8039	1.8039	2.7167	2.7167
H4	1.1081	2.4680	1.8039		1.7882	3.4542	2.8643
H5	1.1081	2.4680	1.8039	1.7882		2.8643	3.4542
H6	2.5107	1.4475	2.7167	3.4542	2.8643		2.0844
H7	2.5107	1.4475	2.7167	2.8643	3.4542	2.0844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.006	C1	P2	H7	97.006
P2	C1	H3	113.981	P2	C1	H4	108.439
P2	C1	H5	108.439	H3	C1	H4	109.101
H3	C1	H5	109.101	H4	C1	H5	107.590
H6	P2	H7	92.113

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

using model chemistry: PBEPBE/cc-pVDZ

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	-0.216
2	P	-0.001
3	H	0.063
4	H	0.067
5	H	0.067
6	H	0.010
7	H	0.010

	x	y	z	Total
	-0.583	1.003	0.000	1.160
CHELPG
AIM
ESP

	x	y	z
x	4.819	0.431	0.000
y	0.431	5.920	0.000
z	0.000	0.000	5.117

<r²>	45.529
(<r²>)^1/2	6.748

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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