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	hartrees
Energy at 0K	-421.190918
Energy at 298.15K	-421.198680
HF Energy	-420.592809
Nuclear repulsion energy	112.971599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3121	3017
2	A'	3112	3009
3	A'	3028	2927
4	A'	2379	2300
5	A'	1487	1438
6	A'	1486	1437
7	A'	1331	1287
8	A'	1014	980
9	A'	969	937
10	A'	719	695
11	A'	666	644
12	A'	258	249
13	A'	195	189
14	A"	3121	3018
15	A"	3114	3011
16	A"	3030	2930
17	A"	1479	1429
18	A"	1473	1424
19	A"	1316	1272
20	A"	1028	994
21	A"	835	807
22	A"	727	703
23	A"	707	684
24	A"	182	176

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.672	0.000
H2	1.358	-0.939	0.000
C3	-0.038	0.533	1.417
C4	-0.038	0.533	-1.417
H5	-1.027	0.993	1.483
H6	-1.027	0.993	-1.483
H7	0.149	-0.001	2.351
H8	0.149	-0.001	-2.351
H9	0.711	1.319	1.294
H10	0.711	1.319	-1.294

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4216	1.8605	1.8605	2.4395	2.4395	2.4520	2.4520	2.4897	2.4897
H2	1.4216		2.4750	2.4750	3.4093	3.4093	2.8051	2.8051	2.6813	2.6813
C3	1.8605	2.4750		2.8338	1.0928	3.0985	1.0919	3.8099	1.0924	2.9197
C4	1.8605	2.4750	2.8338		3.0985	1.0928	3.8099	1.0919	2.9197	1.0924
H5	2.4395	3.4093	1.0928	3.0985		2.9665	1.7674	4.1317	1.7792	3.2925
H6	2.4395	3.4093	3.0985	1.0928	2.9665		4.1317	1.7674	3.2925	1.7792
H7	2.4520	2.8051	1.0919	3.8099	1.7674	4.1317		4.7015	1.7815	3.9163
H8	2.4520	2.8051	3.8099	1.0919	4.1317	1.7674	4.7015		3.9163	1.7815
H9	2.4897	2.6813	1.0924	2.9197	1.7792	3.2925	1.7815	3.9163		2.5871
H10	2.4897	2.6813	2.9197	1.0924	3.2925	1.7792	3.9163	1.7815	2.5871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.574	P1	C3	H7	109.536
P1	C3	H9	112.327	P1	C4	H6	108.574
P1	C4	H8	109.536	P1	C4	H10	112.327
H2	P1	C3	96.985	H2	P1	C4	96.985
C3	P1	C4	99.208	H5	C3	H7	107.993
H5	C3	H9	109.015	H6	C4	H8	107.993
H6	C4	H10	109.015	H7	C3	H9	109.296
H8	C4	H10	109.296

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: QCISD(T)/aug-cc-pVTZ

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(T)/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)