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	hartrees
Energy at 0K	-418.654507
Energy at 298.15K	-418.662191
HF Energy	-418.362363
Nuclear repulsion energy	109.838917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3124	3027	11.99
2	A'	3120	3024	23.21
3	A'	3038	2944	16.01
4	A'	2137	2071	102.10
5	A'	1557	1509	6.22
6	A'	1554	1506	13.29
7	A'	1408	1365	0.54
8	A'	1047	1015	26.49
9	A'	1006	975	36.15
10	A'	724	702	4.72
11	A'	610	591	0.86
12	A'	249	242	0.27
13	A'	176	170	0.05
14	A"	3123	3027	5.33
15	A"	3120	3023	2.37
16	A"	3039	2946	17.18
17	A"	1547	1500	11.93
18	A"	1544	1496	0.16
19	A"	1389	1347	0.28
20	A"	1042	1009	24.19
21	A"	888	860	0.75
22	A"	741	719	1.09
23	A"	655	635	6.17
24	A"	171	165	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	-0.040	-0.702	0.000
H2	1.396	-0.957	0.000
C3	-0.040	0.560	1.464
C4	-0.040	0.560	-1.464
H5	-1.040	1.007	1.537
H6	-1.040	1.007	-1.537
H7	0.177	0.024	2.397
H8	0.177	0.024	-2.397
H9	0.704	1.352	1.314
H10	0.704	1.352	-1.314

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4583	1.9330	1.9330	2.5063	2.5063	2.5139	2.5139	2.5495	2.5495
H2	1.4583		2.5509	2.5509	3.4858	3.4858	2.8625	2.8625	2.7455	2.7455
C3	1.9330	2.5509		2.9287	1.0973	3.1950	1.0972	3.9044	1.0977	2.9831
C4	1.9330	2.5509	2.9287		3.1950	1.0973	3.9044	1.0972	2.9831	1.0977
H5	2.5063	3.4858	1.0973	3.1950		3.0743	1.7847	4.2336	1.7917	3.3596
H6	2.5063	3.4858	3.1950	1.0973	3.0743		4.2336	1.7847	3.3596	1.7917
H7	2.5139	2.8625	1.0972	3.9044	1.7847	4.2336		4.7940	1.7934	3.9763
H8	2.5139	2.8625	3.9044	1.0972	4.2336	1.7847	4.7940		3.9763	1.7934
H9	2.5495	2.7455	1.0977	2.9831	1.7917	3.3596	1.7934	3.9763		2.6272
H10	2.5495	2.7455	2.9831	1.0977	3.3596	1.7917	3.9763	1.7934	2.6272

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.427	P1	C3	H7	108.976
P1	C3	H9	111.548	P1	C4	H6	108.427
P1	C4	H8	108.976	P1	C4	H10	111.548
H2	P1	C3	96.557	H2	P1	C4	96.557
C3	P1	C4	98.497	H5	C3	H7	108.825
H5	C3	H9	109.430	H6	C4	H8	108.825
H6	C4	H10	109.430	H7	C3	H9	109.584
H8	C4	H10	109.584

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)