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	hartrees
Energy at 0K	-421.521717
Energy at 298.15K	-421.529484
HF Energy	-421.521717
Nuclear repulsion energy	112.888321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3021	10.65
2	A'	3164	3016	22.18
3	A'	3074	2930	15.91
4	A'	2408	2295	118.58
5	A'	1507	1437	4.74
6	A'	1505	1435	15.17
7	A'	1366	1302	1.98
8	A'	1031	983	38.14
9	A'	988	941	40.29
10	A'	731	697	1.61
11	A'	674	643	1.17
12	A'	254	242	0.12
13	A'	194	185	0.27
14	A"	3171	3022	4.69
15	A"	3165	3017	0.09
16	A"	3076	2932	14.49
17	A"	1497	1427	11.91
18	A"	1492	1422	1.79
19	A"	1348	1285	3.80
20	A"	1044	995	29.53
21	A"	845	806	1.02
22	A"	742	707	6.04
23	A"	719	686	8.26
24	A"	184	175	0.04

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.665	0.000
H2	1.362	-0.933	0.000
C3	-0.038	0.527	1.423
C4	-0.038	0.527	-1.423
H5	-1.032	0.977	1.514
H6	-1.032	0.977	-1.514
H7	0.163	-0.015	2.353
H8	0.163	-0.015	-2.353
H9	0.700	1.330	1.316
H10	0.700	1.330	-1.316

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4248	1.8569	1.8569	2.4448	2.4448	2.4493	2.4493	2.5011	2.5011
H2	1.4248		2.4732	2.4732	3.4160	3.4160	2.7957	2.7957	2.6998	2.6998
C3	1.8569	2.4732		2.8467	1.0950	3.1334	1.0946	3.8202	1.0950	2.9484
C4	1.8569	2.4732	2.8467		3.1334	1.0950	3.8202	1.0946	2.9484	1.0950
H5	2.4448	3.4160	1.0950	3.1334		3.0279	1.7649	4.1669	1.7786	3.3368
H6	2.4448	3.4160	3.1334	1.0950	3.0279		4.1669	1.7649	3.3368	1.7786
H7	2.4493	2.7957	1.0946	3.8202	1.7649	4.1669		4.7057	1.7807	3.9444
H8	2.4493	2.7957	3.8202	1.0946	4.1669	1.7649	4.7057		3.9444	1.7807
H9	2.5011	2.6998	1.0950	2.9484	1.7786	3.3368	1.7807	3.9444		2.6325
H10	2.5011	2.6998	2.9484	1.0950	3.3368	1.7786	3.9444	1.7807	2.6325

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.085	P1	C3	H7	109.433
P1	C3	H9	113.297	P1	C4	H6	109.085
P1	C4	H8	109.433	P1	C4	H10	113.297
H2	P1	C3	96.928	H2	P1	C4	96.928
C3	P1	C4	100.084	H5	C3	H7	107.418
H5	C3	H9	108.612	H6	C4	H8	107.418
H6	C4	H10	108.612	H7	C3	H9	108.827
H8	C4	H10	108.827

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	0.234
2	H	0.008
3	C	-0.712
4	C	-0.712
5	H	0.197
6	H	0.197
7	H	0.201
8	H	0.201
9	H	0.193
10	H	0.193

	x	y	z	Total
	0.516	1.385	0.000	1.478
CHELPG
AIM
ESP

	x	y	z
x	5.772	-0.342	0.000
y	-0.342	6.147	0.000
z	0.000	0.000	7.228

<r²>	82.341
(<r²>)^1/2	9.074

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)