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	hartrees
Energy at 0K	-460.279722
Energy at 298.15K	-460.289173
HF Energy	-459.629400
Nuclear repulsion energy	176.483115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3142	3001	47.61
2	A₁	3054	2918	28.27
3	A₁	1493	1426	9.38
4	A₁	1377	1316	3.36
5	A₁	991	946	25.02
6	A₁	662	633	0.53
7	A₁	295	281	1.00
8	A₂	3152	3011	0.00
9	A₂	1475	1409	0.00
10	A₂	798	763	0.00
11	A₂	62	59	0.00
12	E	3153	3012	19.91
12	E	3153	3012	19.91
13	E	3141	3000	5.21
13	E	3141	3000	5.21
14	E	3055	2918	21.28
14	E	3055	2918	21.28
15	E	1492	1426	6.73
15	E	1492	1426	6.73
16	E	1474	1408	5.96
16	E	1474	1408	5.96
17	E	1350	1290	2.23
17	E	1350	1290	2.23
18	E	971	928	17.56
18	E	971	928	17.56
19	E	855	816	0.02
19	E	855	816	0.02
20	E	719	687	12.35
20	E	719	687	12.35
21	E	251	240	0.35
21	E	251	240	0.35
22	E	180	172	0.01
22	E	180	172	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.614
C2	0.000	1.632	-0.284
C3	1.413	-0.816	-0.284
C4	-1.413	-0.816	-0.284
H5	0.000	1.497	-1.369
H6	-0.882	2.208	0.001
H7	0.882	2.208	0.001
H8	1.296	-0.748	-1.369
H9	2.353	-0.340	0.001
H10	1.472	-1.868	0.001
H11	-1.296	-0.748	-1.369
H12	-1.472	-1.868	0.001
H13	-2.353	-0.340	0.001

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8630	1.8630	1.8630	2.4848	2.4558	2.4558	2.4848	2.4558	2.4558	2.4848	2.4558	2.4558
C2	1.8630		2.8267	2.8267	1.0931	1.0915	1.0915	2.9195	3.0839	3.8074	2.9195	3.8074	3.0839
C3	1.8630	2.8267		2.8267	2.9195	3.8074	3.0839	1.0931	1.0915	1.0915	2.9195	3.0839	3.8074
C4	1.8630	2.8267	2.8267		2.9195	3.0839	3.8074	2.9195	3.8074	3.0839	1.0931	1.0915	1.0915
H5	2.4848	1.0931	2.9195	2.9195		1.7780	1.7780	2.5927	3.2851	3.9198	2.5927	3.9198	3.2851
H6	2.4558	1.0915	3.8074	3.0839	1.7780		1.7639	3.9198	4.1188	4.7070	3.2851	4.1188	2.9431
H7	2.4558	1.0915	3.0839	3.8074	1.7780	1.7639		3.2851	2.9431	4.1188	3.9198	4.7070	4.1188
H8	2.4848	2.9195	1.0931	2.9195	2.5927	3.9198	3.2851		1.7780	1.7780	2.5927	3.2851	3.9198
H9	2.4558	3.0839	1.0915	3.8074	3.2851	4.1188	2.9431	1.7780		1.7639	3.9198	4.1188	4.7070
H10	2.4558	3.8074	1.0915	3.0839	3.9198	4.7070	4.1188	1.7780	1.7639		3.2851	2.9431	4.1188
H11	2.4848	2.9195	2.9195	1.0931	2.5927	3.2851	3.9198	2.5927	3.9198	3.2851		1.7780	1.7780
H12	2.4558	3.8074	3.0839	1.0915	3.9198	4.1188	4.7070	3.2851	4.1188	2.9431	1.7780		1.7639
H13	2.4558	3.0839	3.8074	1.0915	3.2851	2.9431	4.1188	3.9198	4.7070	4.1188	1.7780	1.7639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.739	P1	C2	H6	109.665
P1	C2	H7	109.665	P1	C3	H8	111.739
P1	C3	H9	109.665	P1	C3	H10	109.665
P1	C4	H11	111.739	P1	C4	H12	109.665
P1	C4	H13	109.665	C2	P1	C3	98.689
C2	P1	C4	98.689	C3	P1	C4	98.689
H5	C2	H6	108.945	H5	C2	H7	108.945
H6	C2	H7	107.794	H8	C3	H9	108.945
H8	C3	H10	108.945	H9	C3	H10	107.794
H11	C4	H12	108.945	H11	C4	H13	108.945
H12	C4	H13	107.794

All results from a given calculation for P(CH₃)₃ (trimethylphosphine)

using model chemistry: QCISD/TZVP

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 P(CH3)3 (trimethylphosphine)

using model chemistry: QCISD/TZVP

States and conformations

All results from a given calculation for P(CH₃)₃ (trimethylphosphine)