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	hartrees
Energy at 0K	-382.269287
Energy at 298.15K	-382.274900
Nuclear repulsion energy	59.856715

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3185	3029	8.33
2	A	3088	2936	13.54
3	A	2425	2306	90.10
4	A	1505	1431	7.15
5	A	1362	1295	0.74
6	A	1143	1087	16.55
7	A	1013	963	52.64
8	A	753	716	1.08
9	A	692	658	6.45
10	A	3175	3019	7.26
11	A	2435	2316	122.40
12	A	1506	1433	9.04
13	A	1055	1003	23.15
14	A	709	674	0.76
15	A	238	227	3.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.071	1.188	0.000
P2	0.071	-0.675	0.000
H3	-0.929	1.630	0.000
H4	0.613	1.542	0.882
H5	0.613	1.542	-0.882
H6	-0.890	-0.860	-1.035
H7	-0.890	-0.860	1.035

	C1	P2	H3	H4	H5	H6	H7
C1		1.8628	1.0925	1.0940	1.0940	2.4874	2.4874
P2	1.8628		2.5117	2.4462	2.4462	1.4238	1.4238
H3	1.0925	2.5117		1.7784	1.7784	2.6962	2.6962
H4	1.0940	2.4462	1.7784		1.7635	3.4203	2.8372
H5	1.0940	2.4462	1.7784	1.7635		2.8372	3.4203
H6	2.4874	1.4238	2.6962	3.4203	2.8372		2.0692
H7	2.4874	1.4238	2.6962	2.8372	3.4203	2.0692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.472	C1	P2	H7	97.472
P2	C1	H3	113.839	P2	C1	H4	108.853
P2	C1	H5	108.853	H3	C1	H4	108.848
H3	C1	H5	108.848	H4	C1	H5	107.409
H6	P2	H7	93.213

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

using model chemistry: HSEh1PBE/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	-0.703
2	P	0.049
3	H	0.202
4	H	0.202
5	H	0.202
6	H	0.024
7	H	0.024

	x	y	z	Total
	-0.788	1.154	0.000	1.398
CHELPG
AIM
ESP

	x	y	z
x	4.249	0.354	0.000
y	0.354	5.292	0.000
z	0.000	0.000	4.650

<r²>	44.838
(<r²>)^1/2	6.696

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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