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	hartrees
Energy at 0K	-382.260188
Energy at 298.15K	-382.265718
Nuclear repulsion energy	59.569792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3072	3051	7.36
2	A	2983	2962	12.41
3	A	2307	2291	59.10
4	A	1422	1412	4.99
5	A	1271	1262	0.03
6	A	1069	1062	12.58
7	A	956	949	31.72
8	A	716	711	0.41
9	A	655	650	8.63
10	A	3060	3039	6.67
11	A	2317	2301	74.56
12	A	1426	1416	5.89
13	A	999	993	16.04
14	A	677	672	0.18
15	A	225	224	1.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.072	1.194	0.000
P2	0.072	-0.678	0.000
H3	-0.931	1.636	0.000
H4	0.618	1.544	0.886
H5	0.618	1.544	-0.886
H6	-0.906	-0.860	-1.034
H7	-0.906	-0.860	1.034

	C1	P2	H3	H4	H5	H6	H7
C1		1.8719	1.0957	1.0977	1.0977	2.4989	2.4989
P2	1.8719		2.5219	2.4530	2.4530	1.4346	1.4346
H3	1.0957	2.5219		1.7865	1.7865	2.7022	2.7022
H4	1.0977	2.4530	1.7865		1.7716	3.4329	2.8496
H5	1.0977	2.4530	1.7865	1.7716		2.8496	3.4329
H6	2.4989	1.4346	2.7022	3.4329	2.8496		2.0685
H7	2.4989	1.4346	2.7022	2.8496	3.4329	2.0685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.299	C1	P2	H7	97.299
P2	C1	H3	113.796	P2	C1	H4	108.564
P2	C1	H5	108.564	H3	C1	H4	109.069
H3	C1	H5	109.069	H4	C1	H5	107.601
H6	P2	H7	92.265

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

using model chemistry: PBEPBE/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	-0.343
2	P	-0.023
3	H	0.112
4	H	0.110
5	H	0.110
6	H	0.017
7	H	0.017

	x	y	z	Total
	-0.536	1.051	0.000	1.180
CHELPG
AIM
ESP

	x	y	z
x	5.451	0.309	0.000
y	0.309	6.709	0.000
z	0.000	0.000	5.592

<r²>	45.273
(<r²>)^1/2	6.728

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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