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	hartrees
Energy at 0K	-382.421250
Energy at 298.15K	-382.426860
HF Energy	-382.421250
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3022	9.89
2	A'	3090	2930	14.91
3	A'	2426	2301	91.63
4	A'	1514	1436	7.10
5	A'	1377	1306	0.96
6	A'	1164	1104	17.30
7	A'	1023	970	51.28
8	A'	758	719	0.93
9	A'	695	659	6.68
10	A"	3174	3010	8.80
11	A"	2432	2307	125.80
12	A"	1511	1433	9.09
13	A"	1060	1005	22.98
14	A"	711	674	0.93
15	A"	228	217	3.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.070	1.187	0.000
P2	0.070	-0.674	0.000
H3	-0.931	1.626	0.000
H4	0.611	1.541	0.883
H5	0.611	1.541	-0.883
H6	-0.882	-0.859	-1.036
H7	-0.882	-0.859	1.036

	C1	P2	H3	H4	H5	H6	H7
C1		1.8618	1.0929	1.0938	1.0938	2.4833	2.4833
P2	1.8618		2.5088	2.4450	2.4450	1.4192	1.4192
H3	1.0929	2.5088		1.7785	1.7785	2.6924	2.6924
H4	1.0938	2.4450	1.7785		1.7655	3.4157	2.8302
H5	1.0938	2.4450	1.7785	1.7655		2.8302	3.4157
H6	2.4833	1.4192	2.6924	3.4157	2.8302		2.0715
H7	2.4833	1.4192	2.6924	2.8302	3.4157	2.0715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.460	C1	P2	H7	97.460
P2	C1	H3	113.664	P2	C1	H4	108.843
P2	C1	H5	108.843	H3	C1	H4	108.853
H3	C1	H5	108.853	H4	C1	H5	107.617
H6	P2	H7	93.737

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

using model chemistry: wB97X-D/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	-0.685
2	P	0.068
3	H	0.196
4	H	0.196
5	H	0.196
6	H	0.015
7	H	0.015

	x	y	z	Total
	-0.792	1.128	0.000	1.379
CHELPG
AIM
ESP

	x	y	z
x	4.227	0.362	0.000
y	0.362	5.262	0.000
z	0.000	0.000	4.670

<r²>	44.813
(<r²>)^1/2	6.694

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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