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	hartrees
Energy at 0K	-421.522743
Energy at 298.15K	-421.530378
HF Energy	-421.522743
Nuclear repulsion energy	112.181924

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3061	3033	12.21
2	A'	3054	3026	23.78
3	A'	2971	2944	21.34
4	A'	2287	2266	89.18
5	A'	1430	1417	2.40
6	A'	1427	1414	16.39
7	A'	1290	1278	0.97
8	A'	985	976	39.46
9	A'	941	933	39.15
10	A'	704	698	1.29
11	A'	636	630	2.14
12	A'	244	242	0.27
13	A'	188	186	0.35
14	A"	3062	3034	4.80
15	A"	3056	3028	0.29
16	A"	2974	2946	17.38
17	A"	1419	1406	12.18
18	A"	1414	1401	0.98
19	A"	1271	1260	2.57
20	A"	994	985	27.85
21	A"	807	800	0.75
22	A"	708	702	2.08
23	A"	682	676	14.50
24	A"	176	175	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.670	0.000
H2	1.377	-0.924	0.000
C3	-0.038	0.531	1.433
C4	-0.038	0.531	-1.433
H5	-1.041	0.973	1.527
H6	-1.041	0.973	-1.527
H7	0.169	-0.018	2.363
H8	0.169	-0.018	-2.363
H9	0.698	1.342	1.326
H10	0.698	1.342	-1.326

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4380	1.8696	1.8696	2.4573	2.4573	2.4603	2.4603	2.5189	2.5189
H2	1.4380		2.4848	2.4848	3.4323	3.4323	2.8049	2.8049	2.7114	2.7114
C3	1.8696	2.4848		2.8658	1.1002	3.1564	1.0999	3.8413	1.1003	2.9678
C4	1.8696	2.4848	2.8658		3.1564	1.1002	3.8413	1.0999	2.9678	1.1003
H5	2.4573	3.4323	1.1002	3.1564		3.0542	1.7734	4.1930	1.7893	3.3613
H6	2.4573	3.4323	3.1564	1.1002	3.0542		4.1930	1.7734	3.3613	1.7893
H7	2.4603	2.8049	1.0999	3.8413	1.7734	4.1930		4.7267	1.7904	3.9669
H8	2.4603	2.8049	3.8413	1.0999	4.1930	1.7734	4.7267		3.9669	1.7904
H9	2.5189	2.7114	1.1003	2.9678	1.7893	3.3613	1.7904	3.9669		2.6510
H10	2.5189	2.7114	2.9678	1.1003	3.3613	1.7893	3.9669	1.7904	2.6510

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.896	P1	C3	H7	109.134
P1	C3	H9	113.476	P1	C4	H6	108.896
P1	C4	H8	109.134	P1	C4	H10	113.476
H2	P1	C3	96.525	H2	P1	C4	96.525
C3	P1	C4	100.066	H5	C3	H7	107.429
H5	C3	H9	108.806	H6	C4	H8	107.429
H6	C4	H10	108.806	H7	C3	H9	108.926
H8	C4	H10	108.926

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: PBEPBE/6-311G**

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	0.242
2	H	0.004
3	C	-0.575
4	C	-0.575
5	H	0.151
6	H	0.151
7	H	0.156
8	H	0.156
9	H	0.146
10	H	0.146

	x	y	z	Total
	0.462	1.294	0.000	1.374
CHELPG
AIM
ESP

	x	y	z
x	6.688	-0.242	0.000
y	-0.242	7.184	0.000
z	0.000	0.000	8.270

<r²>	83.636
(<r²>)^1/2	9.145

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)