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	hartrees
Energy at 0K	-421.118305
Energy at 298.15K	-421.126160
HF Energy	-420.548020
Nuclear repulsion energy	113.527381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	3004	12.50
2	A'	3185	2999	13.27
3	A'	3098	2917	10.11
4	A'	2444	2301	77.21
5	A'	1525	1435	6.92
6	A'	1524	1435	4.58
7	A'	1374	1293	1.02
8	A'	1043	982	32.14
9	A'	991	933	29.02
10	A'	742	699	1.34
11	A'	695	655	1.99
12	A'	267	251	0.14
13	A'	198	187	0.15
14	A"	3190	3004	3.24
15	A"	3186	3000	1.32
16	A"	3099	2918	10.93
17	A"	1516	1428	6.38
18	A"	1512	1423	1.78
19	A"	1358	1278	0.48
20	A"	1061	999	26.19
21	A"	854	804	1.10
22	A"	753	709	9.86
23	A"	731	688	4.64
24	A"	197	185	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.668	0.000
H2	1.350	-0.941	0.000
C3	-0.038	0.529	1.408
C4	-0.038	0.529	-1.408
H5	-1.021	0.994	1.480
H6	-1.021	0.994	-1.480
H7	0.143	-0.001	2.344
H8	0.143	-0.001	-2.344
H9	0.710	1.314	1.300
H10	0.710	1.314	-1.300

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4146	1.8478	1.8478	2.4326	2.4326	2.4435	2.4435	2.4850	2.4850
H2	1.4146		2.4634	2.4634	3.3994	3.3994	2.7992	2.7992	2.6802	2.6802
C3	1.8478	2.4634		2.8166	1.0904	3.0861	1.0899	3.7935	1.0896	2.9171
C4	1.8478	2.4634	2.8166		3.0861	1.0904	3.7935	1.0899	2.9171	1.0896
H5	2.4326	3.3994	1.0904	3.0861		2.9593	1.7579	4.1185	1.7693	3.2899
H6	2.4326	3.3994	3.0861	1.0904	2.9593		4.1185	1.7579	3.2899	1.7693
H7	2.4435	2.7992	1.0899	3.7935	1.7579	4.1185		4.6876	1.7721	3.9149
H8	2.4435	2.7992	3.7935	1.0899	4.1185	1.7579	4.6876		3.9149	1.7721
H9	2.4850	2.6802	1.0896	2.9171	1.7693	3.2899	1.7721	3.9149		2.5997
H10	2.4850	2.6802	2.9171	1.0896	3.2899	1.7693	3.9149	1.7721	2.5997

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.036	P1	C3	H7	109.863
P1	C3	H9	113.008	P1	C4	H6	109.036
P1	C4	H8	109.863	P1	C4	H10	113.008
H2	P1	C3	97.176	H2	P1	C4	97.176
C3	P1	C4	99.310	H5	C3	H7	107.470
H5	C3	H9	108.510	H6	C4	H8	107.470
H6	C4	H10	108.510	H7	C3	H9	108.796
H8	C4	H10	108.796

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: CCSD=FULL/6-31G(2df,p)

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: CCSD=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)