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	hartrees
Energy at 0K	-421.470438
Energy at 298.15K	-421.478144
HF Energy	-421.470438
Nuclear repulsion energy	111.083760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3056	10.37
2	A'	3189	3048	22.32
3	A'	3083	2947	19.06
4	A'	2254	2155	146.36
5	A'	1526	1458	8.80
6	A'	1523	1456	22.12
7	A'	1387	1326	3.33
8	A'	1042	996	34.71
9	A'	1013	968	50.78
10	A'	728	696	3.73
11	A'	645	617	0.69
12	A'	246	235	0.10
13	A'	177	169	0.26
14	A"	3197	3056	4.17
15	A"	3190	3049	1.43
16	A"	3085	2949	18.35
17	A"	1515	1448	18.46
18	A"	1512	1446	0.01
19	A"	1369	1309	6.56
20	A"	1039	993	24.47
21	A"	883	844	1.08
22	A"	752	719	0.01
23	A"	701	670	8.66
24	A"	166	159	0.04

Atom	x (Å)	y (Å)	z (Å)
P1	-0.039	-0.685	0.000
H2	1.388	-0.954	0.000
C3	-0.039	0.546	1.450
C4	-0.039	0.546	-1.450
H5	-1.037	0.986	1.533
H6	-1.037	0.986	-1.533
H7	0.176	0.007	2.376
H8	0.176	0.007	-2.376
H9	0.696	1.345	1.317
H10	0.696	1.345	-1.317

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4523	1.9018	1.9018	2.4773	2.4773	2.4836	2.4836	2.5284	2.5284
H2	1.4523		2.5277	2.5277	3.4632	3.4632	2.8350	2.8350	2.7381	2.7381
C3	1.9018	2.5277		2.8994	1.0933	3.1758	1.0930	3.8692	1.0937	2.9717
C4	1.9018	2.5277	2.8994		3.1758	1.0933	3.8692	1.0930	2.9717	1.0937
H5	2.4773	3.4632	1.0933	3.1758		3.0664	1.7715	4.2081	1.7827	3.3545
H6	2.4773	3.4632	3.1758	1.0933	3.0664		4.2081	1.7715	3.3545	1.7827
H7	2.4836	2.8350	1.0930	3.8692	1.7715	4.2081		4.7514	1.7841	3.9617
H8	2.4836	2.8350	3.8692	1.0930	4.2081	1.7715	4.7514		3.9617	1.7841
H9	2.5284	2.7381	1.0937	2.9717	1.7827	3.3545	1.7841	3.9617		2.6333
H10	2.5284	2.7381	2.9717	1.0937	3.3545	1.7827	3.9617	1.7841	2.6333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.585	P1	C3	H7	109.048
P1	C3	H9	112.323	P1	C4	H6	108.585
P1	C4	H8	109.048	P1	C4	H10	112.323
H2	P1	C3	96.899	H2	P1	C4	96.899
C3	P1	C4	99.332	H5	C3	H7	108.250
H5	C3	H9	109.199	H6	C4	H8	108.250
H6	C4	H10	109.199	H7	C3	H9	109.348
H8	C4	H10	109.348

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: PBE1PBE/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	P	0.369
2	H	-0.010
3	C	-0.764
4	C	-0.764
5	H	0.197
6	H	0.197
7	H	0.198
8	H	0.198
9	H	0.190
10	H	0.190

	x	y	z	Total
	0.639	1.499	0.000	1.629
CHELPG
AIM
ESP

	x	y	z
x	5.822	-0.436	0.000
y	-0.436	6.130	0.000
z	0.000	0.000	7.315

<r²>	84.730
(<r²>)^1/2	9.205

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: PBE1PBE/6-31G

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)