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	hartrees
Energy at 0K	-460.220957
Energy at 298.15K	-460.230641
HF Energy	-459.589060
Nuclear repulsion energy	175.626934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3138	3010	41.48
2	A₁	3043	2920	22.74
3	A₁	1480	1420	7.87
4	A₁	1341	1286	3.57
5	A₁	976	936	21.66
6	A₁	658	631	0.27
7	A₁	293	281	0.43
8	A₂	3148	3020	0.00
9	A₂	1459	1400	0.00
10	A₂	790	758	0.00
11	A₂	176	169	0.00
12	E	3149	3021	16.19
12	E	3149	3021	16.19
13	E	3137	3009	4.30
13	E	3137	3009	4.30
14	E	3044	2921	20.93
14	E	3044	2921	20.93
15	E	1473	1414	6.46
15	E	1473	1414	6.46
16	E	1462	1403	4.50
16	E	1462	1403	4.50
17	E	1316	1262	0.64
17	E	1316	1262	0.64
18	E	958	919	18.92
18	E	958	919	18.92
19	E	843	809	0.49
19	E	843	809	0.49
20	E	716	687	12.51
20	E	716	687	12.51
21	E	251	241	0.22
21	E	251	241	0.22
22	E	204	196	0.00
22	E	204	196	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.617
C2	0.000	1.635	-0.285
C3	1.416	-0.818	-0.285
C4	-1.416	-0.818	-0.285
H5	0.000	1.504	-1.384
H6	-0.893	2.219	0.004
H7	0.893	2.219	0.004
H8	1.302	-0.752	-1.384
H9	2.368	-0.336	0.004
H10	1.475	-1.883	0.004
H11	-1.302	-0.752	-1.384
H12	-1.475	-1.883	0.004
H13	-2.368	-0.336	0.004

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8675	1.8675	1.8675	2.5030	2.4692	2.4692	2.5030	2.4692	2.4692	2.5030	2.4692	2.4692
C2	1.8675		2.8323	2.8323	1.1069	1.1053	1.1053	2.9329	3.0950	3.8258	2.9329	3.8258	3.0950
C3	1.8675	2.8323		2.8323	2.9329	3.8258	3.0950	1.1069	1.1053	1.1053	2.9329	3.0950	3.8258
C4	1.8675	2.8323	2.8323		2.9329	3.0950	3.8258	2.9329	3.8258	3.0950	1.1069	1.1053	1.1053
H5	2.5030	1.1069	2.9329	2.9329		1.7990	1.7990	2.6045	3.3048	3.9462	2.6045	3.9462	3.3048
H6	2.4692	1.1053	3.8258	3.0950	1.7990		1.7857	3.9462	4.1430	4.7364	3.3048	4.1430	2.9508
H7	2.4692	1.1053	3.0950	3.8258	1.7990	1.7857		3.3048	2.9508	4.1430	3.9462	4.7364	4.1430
H8	2.5030	2.9329	1.1069	2.9329	2.6045	3.9462	3.3048		1.7990	1.7990	2.6045	3.3048	3.9462
H9	2.4692	3.0950	1.1053	3.8258	3.3048	4.1430	2.9508	1.7990		1.7857	3.9462	4.1430	4.7364
H10	2.4692	3.8258	1.1053	3.0950	3.9462	4.7364	4.1430	1.7990	1.7857		3.3048	2.9508	4.1430
H11	2.5030	2.9329	2.9329	1.1069	2.6045	3.3048	3.9462	2.6045	3.9462	3.3048		1.7990	1.7990
H12	2.4692	3.8258	3.0950	1.1053	3.9462	4.1430	4.7364	3.3048	4.1430	2.9508	1.7990		1.7857
H13	2.4692	3.0950	3.8258	1.1053	3.3048	2.9508	4.1430	3.9462	4.7364	4.1430	1.7990	1.7857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.054	P1	C2	H6	109.643
P1	C2	H7	109.643	P1	C3	H8	112.054
P1	C3	H9	109.643	P1	C3	H10	109.643
P1	C4	H11	112.054	P1	C4	H12	109.643
P1	C4	H13	109.643	C2	P1	C3	98.634
C2	P1	C4	98.634	C3	P1	C4	98.634
H5	C2	H6	108.819	H5	C2	H7	108.819
H6	C2	H7	107.760	H8	C3	H9	108.819
H8	C3	H10	108.819	H9	C3	H10	107.760
H11	C4	H12	108.819	H11	C4	H13	108.819
H12	C4	H13	107.760

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

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

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