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	hartrees
Energy at 0K	-382.461083
Energy at 298.15K	-382.466686
HF Energy	-382.461083
Nuclear repulsion energy	59.865563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3028	8.77
2	A'	3075	2937	15.53
3	A'	2380	2273	71.80
4	A'	1483	1416	7.55
5	A'	1345	1285	0.95
6	A'	1135	1084	15.04
7	A'	1002	957	42.62
8	A'	748	714	0.78
9	A'	691	660	7.77
10	A"	3157	3015	8.16
11	A"	2387	2279	93.06
12	A"	1482	1415	8.77
13	A"	1043	996	19.68
14	A"	702	671	1.09
15	A"	225	215	2.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.070	1.189	0.000
P2	0.070	-0.674	0.000
H3	-0.928	1.625	0.000
H4	0.609	1.540	0.880
H5	0.609	1.540	-0.880
H6	-0.883	-0.862	-1.038
H7	-0.883	-0.862	1.038

	C1	P2	H3	H4	H5	H6	H7
C1		1.8627	1.0890	1.0901	1.0901	2.4885	2.4885
P2	1.8627		2.5061	2.4425	2.4425	1.4219	1.4219
H3	1.0890	2.5061		1.7732	1.7732	2.6953	2.6953
H4	1.0901	2.4425	1.7732		1.7602	3.4170	2.8323
H5	1.0901	2.4425	1.7732	1.7602		2.8323	3.4170
H6	2.4885	1.4219	2.6953	3.4170	2.8323		2.0759
H7	2.4885	1.4219	2.6953	2.8323	3.4170	2.0759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.606	C1	P2	H7	97.606
P2	C1	H3	113.607	P2	C1	H4	108.783
P2	C1	H5	108.783	H3	C1	H4	108.916
H3	C1	H5	108.916	H4	C1	H5	107.671
H6	P2	H7	93.768

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

using model chemistry: wB97X-D/TZVP

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	-0.483
2	P	0.082
3	H	0.145
4	H	0.141
5	H	0.141
6	H	-0.012
7	H	-0.012

	x	y	z	Total
	-0.721	1.051	0.000	1.275
CHELPG
AIM
ESP

	x	y	z
x	4.904	0.347	0.000
y	0.347	6.114	0.000
z	0.000	0.000	5.270

<r²>	44.988
(<r²>)^1/2	6.707

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

using model chemistry: wB97X-D/TZVP

States and conformations

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