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	hartrees
Energy at 0K	-418.804078
Energy at 298.15K	-418.811947
HF Energy	-418.468644
Nuclear repulsion energy	112.414290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3089	2969	18.08
2	A'	3086	2966	26.66
3	A'	3014	2897	15.48
4	A'	2422	2328	84.04
5	A'	1560	1500	2.57
6	A'	1558	1498	14.79
7	A'	1430	1374	2.20
8	A'	1076	1034	33.82
9	A'	1030	990	33.51
10	A'	760	730	2.03
11	A'	670	644	1.99
12	A'	271	260	0.20
13	A'	194	187	0.12
14	A"	3089	2969	8.53
15	A"	3085	2965	0.24
16	A"	3016	2898	17.22
17	A"	1552	1492	9.21
18	A"	1547	1487	1.81
19	A"	1415	1360	3.35
20	A"	1082	1040	27.09
21	A"	899	864	1.58
22	A"	773	743	0.08
23	A"	717	689	13.15
24	A"	191	184	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	-0.039	-0.674	0.000
H2	1.360	-0.930	0.000
C3	-0.039	0.533	1.425
C4	-0.039	0.533	-1.425
H5	-1.035	0.992	1.510
H6	-1.035	0.992	-1.510
H7	0.169	-0.002	2.363
H8	0.169	-0.002	-2.363
H9	0.707	1.332	1.299
H10	0.707	1.332	-1.299

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4215	1.8679	1.8679	2.4598	2.4598	2.4659	2.4659	2.5041	2.5041
H2	1.4215		2.4754	2.4754	3.4222	3.4222	2.8045	2.8045	2.6897	2.6897
C3	1.8679	2.4754		2.8502	1.1003	3.1337	1.1000	3.8317	1.0998	2.9355
C4	1.8679	2.4754	2.8502		3.1337	1.1003	3.8317	1.1000	2.9355	1.0998
H5	2.4598	3.4222	1.1003	3.1337		3.0207	1.7792	4.1766	1.7871	3.3233
H6	2.4598	3.4222	3.1337	1.1003	3.0207		4.1766	1.7792	3.3233	1.7871
H7	2.4659	2.8045	1.1000	3.8317	1.7792	4.1766		4.7268	1.7893	3.9352
H8	2.4659	2.8045	3.8317	1.1000	4.1766	1.7792	4.7268		3.9352	1.7893
H9	2.5041	2.6897	1.0998	2.9355	1.7871	3.3233	1.7893	3.9352		2.5989
H10	2.5041	2.6897	2.9355	1.0998	3.3233	1.7871	3.9352	1.7893	2.5989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.188	P1	C3	H7	109.647
P1	C3	H9	112.490	P1	C4	H6	109.188
P1	C4	H8	109.647	P1	C4	H10	112.490
H2	P1	C3	96.686	H2	P1	C4	96.686
C3	P1	C4	99.450	H5	C3	H7	107.922
H5	C3	H9	108.631	H6	C4	H8	107.922
H6	C4	H10	108.631	H7	C3	H9	108.853
H8	C4	H10	108.853

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: QCISD/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: QCISD/3-21G*

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)