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	hartrees
Energy at 0K	-382.513153
Energy at 298.15K	-382.518736
HF Energy	-382.513153
Nuclear repulsion energy	59.831186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3123	3022	7.69
2	A'	3042	2943	14.05
3	A'	2368	2291	64.57
4	A'	1474	1426	4.81
5	A'	1326	1283	0.02
6	A'	1114	1077	16.07
7	A'	993	961	35.80
8	A'	736	712	0.35
9	A'	667	645	9.36
10	A"	3111	3010	7.75
11	A"	2375	2298	79.58
12	A"	1479	1431	5.73
13	A"	1034	1000	16.38
14	A"	697	674	0.80
15	A"	226	219	1.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.070	1.191	0.000
P2	0.070	-0.674	0.000
H3	-0.926	1.627	0.000
H4	0.609	1.541	0.879
H5	0.609	1.541	-0.879
H6	-0.884	-0.868	-1.035
H7	-0.884	-0.868	1.035

	C1	P2	H3	H4	H5	H6	H7
C1		1.8652	1.0878	1.0892	1.0892	2.4936	2.4936
P2	1.8652		2.5078	2.4434	2.4434	1.4207	1.4207
H3	1.0878	2.5078		1.7718	1.7718	2.7009	2.7009
H4	1.0892	2.4434	1.7718		1.7588	3.4195	2.8379
H5	1.0892	2.4434	1.7718	1.7588		2.8379	3.4195
H6	2.4936	1.4207	2.7009	3.4195	2.8379		2.0691
H7	2.4936	1.4207	2.7009	2.8379	3.4195	2.0691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.819	C1	P2	H7	97.819
P2	C1	H3	113.634	P2	C1	H4	108.733
P2	C1	H5	108.733	H3	C1	H4	108.948
H3	C1	H5	108.948	H4	C1	H5	107.680
H6	P2	H7	93.477

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

using model chemistry: B3LYPultrafine/aug-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	-0.689
2	P	0.006
3	H	0.207
4	H	0.220
5	H	0.220
6	H	0.017
7	H	0.017

	x	y	z	Total
	-0.533	1.025	0.000	1.155
CHELPG
AIM
ESP

	x	y	z
x	6.090	0.134	0.000
y	0.134	7.308	0.000
z	0.000	0.000	5.930

<r²>	45.202
(<r²>)^1/2	6.723

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

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