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	hartrees
Energy at 0K	-418.801074
Energy at 298.15K	-418.808956
HF Energy	-418.468804
Nuclear repulsion energy	112.497101

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3104	2969	17.19
2	A'	3101	2966	25.70
3	A'	3028	2896	15.19
4	A'	2439	2332	79.40
5	A'	1564	1496	2.49
6	A'	1562	1494	15.38
7	A'	1435	1372	2.29
8	A'	1080	1033	34.19
9	A'	1035	990	33.96
10	A'	762	729	2.02
11	A'	675	646	1.78
12	A'	271	259	0.19
13	A'	195	187	0.12
14	A"	3104	2969	8.00
15	A"	3101	2966	0.18
16	A"	3029	2897	16.43
17	A"	1556	1489	9.35
18	A"	1551	1484	1.83
19	A"	1420	1358	3.68
20	A"	1087	1040	27.35
21	A"	903	863	1.62
22	A"	775	742	0.07
23	A"	723	691	12.51
24	A"	192	184	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.673	0.000
H2	1.358	-0.933	0.000
C3	-0.038	0.532	1.425
C4	-0.038	0.532	-1.425
H5	-1.034	0.991	1.510
H6	-1.034	0.991	-1.510
H7	0.168	-0.004	2.362
H8	0.168	-0.004	-2.362
H9	0.707	1.331	1.301
H10	0.707	1.331	-1.301

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4203	1.8661	1.8661	2.4576	2.4576	2.4635	2.4635	2.5021	2.5021
H2	1.4203		2.4752	2.4752	3.4210	3.4210	2.8030	2.8030	2.6907	2.6907
C3	1.8661	2.4752		2.8502	1.0996	3.1336	1.0993	3.8305	1.0991	2.9366
C4	1.8661	2.4752	2.8502		3.1336	1.0996	3.8305	1.0993	2.9366	1.0991
H5	2.4576	3.4210	1.0996	3.1336		3.0209	1.7780	4.1752	1.7860	3.3242
H6	2.4576	3.4210	3.1336	1.0996	3.0209		4.1752	1.7780	3.3242	1.7860
H7	2.4635	2.8030	1.0993	3.8305	1.7780	4.1752		4.7241	1.7881	3.9356
H8	2.4635	2.8030	3.8305	1.0993	4.1752	1.7780	4.7241		3.9356	1.7881
H9	2.5021	2.6907	1.0991	2.9366	1.7860	3.3242	1.7881	3.9356		2.6019
H10	2.5021	2.6907	2.9366	1.0991	3.3242	1.7860	3.9356	1.7881	2.6019

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.183	P1	C3	H7	109.626
P1	C3	H9	112.501	P1	C4	H6	109.183
P1	C4	H8	109.626	P1	C4	H10	112.501
H2	P1	C3	96.796	H2	P1	C4	96.796
C3	P1	C4	99.576	H5	C3	H7	107.917
H5	C3	H9	108.646	H6	C4	H8	107.917
H6	C4	H10	108.646	H7	C3	H9	108.858
H8	C4	H10	108.858

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: CCD/3-21G*

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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All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: CCD/3-21G*

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)