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	hartrees
Energy at 0K	-460.406889
Energy at 298.15K	-460.416642
HF Energy	-459.647921
Nuclear repulsion energy	177.403711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3131	2997	33.40
2	A₁	3044	2913	24.01
3	A₁	1506	1441	9.62
4	A₁	1356	1298	5.09
5	A₁	988	945	23.85
6	A₁	671	642	0.74
7	A₁	293	280	0.91
8	A₂	3144	3009	0.00
9	A₂	1483	1419	0.00
10	A₂	801	767	0.00
11	A₂	180	172	0.00
12	E	3145	3010	12.34
12	E	3145	3010	12.34
13	E	3131	2996	2.88
13	E	3131	2996	2.88
14	E	3046	2915	15.13
14	E	3046	2915	15.13
15	E	1499	1434	7.90
15	E	1499	1434	7.90
16	E	1486	1423	3.68
16	E	1486	1423	3.68
17	E	1334	1277	3.59
17	E	1334	1277	3.59
18	E	973	931	18.28
18	E	973	931	18.28
19	E	855	818	0.22
19	E	855	818	0.22
20	E	729	698	12.54
20	E	729	698	12.54
21	E	252	241	0.21
21	E	252	241	0.21
22	E	206	197	0.00
22	E	206	197	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.606
C2	0.000	1.624	-0.280
C3	1.406	-0.812	-0.280
C4	-1.406	-0.812	-0.280
H5	0.000	1.492	-1.364
H6	-0.882	2.197	0.008
H7	0.882	2.197	0.008
H8	1.292	-0.746	-1.364
H9	2.344	-0.335	0.008
H10	1.462	-1.862	0.008
H11	-1.292	-0.746	-1.364
H12	-1.462	-1.862	0.008
H13	-2.344	-0.335	0.008

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8500	1.8500	1.8500	2.4715	2.4416	2.4416	2.4715	2.4416	2.4416	2.4715	2.4416	2.4416
C2	1.8500		2.8129	2.8129	1.0923	1.0904	1.0904	2.9091	3.0678	3.7912	2.9091	3.7912	3.0678
C3	1.8500	2.8129		2.8129	2.9091	3.7912	3.0678	1.0923	1.0904	1.0904	2.9091	3.0678	3.7912
C4	1.8500	2.8129	2.8129		2.9091	3.0678	3.7912	2.9091	3.7912	3.0678	1.0923	1.0904	1.0904
H5	2.4715	1.0923	2.9091	2.9091		1.7772	1.7772	2.5844	3.2730	3.9079	2.5844	3.9079	3.2730
H6	2.4416	1.0904	3.7912	3.0678	1.7772		1.7640	3.9079	4.1002	4.6870	3.2730	4.1002	2.9230
H7	2.4416	1.0904	3.0678	3.7912	1.7772	1.7640		3.2730	2.9230	4.1002	3.9079	4.6870	4.1002
H8	2.4715	2.9091	1.0923	2.9091	2.5844	3.9079	3.2730		1.7772	1.7772	2.5844	3.2730	3.9079
H9	2.4416	3.0678	1.0904	3.7912	3.2730	4.1002	2.9230	1.7772		1.7640	3.9079	4.1002	4.6870
H10	2.4416	3.7912	1.0904	3.0678	3.9079	4.6870	4.1002	1.7772	1.7640		3.2730	2.9230	4.1002
H11	2.4715	2.9091	2.9091	1.0923	2.5844	3.2730	3.9079	2.5844	3.9079	3.2730		1.7772	1.7772
H12	2.4416	3.7912	3.0678	1.0904	3.9079	4.1002	4.6870	3.2730	4.1002	2.9230	1.7772		1.7640
H13	2.4416	3.0678	3.7912	1.0904	3.2730	2.9230	4.1002	3.9079	4.6870	4.1002	1.7772	1.7640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.678	P1	C2	H6	109.544
P1	C2	H7	109.544	P1	C3	H8	111.678
P1	C3	H9	109.544	P1	C3	H10	109.544
P1	C4	H11	111.678	P1	C4	H12	109.544
P1	C4	H13	109.544	C2	P1	C3	98.973
C2	P1	C4	98.973	C3	P1	C4	98.973
H5	C2	H6	109.015	H5	C2	H7	109.015
H6	C2	H7	107.965	H8	C3	H9	109.015
H8	C3	H10	109.015	H9	C3	H10	107.965
H11	C4	H12	109.015	H11	C4	H13	109.015
H12	C4	H13	107.965

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

using model chemistry: CCD/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 P(CH3)3 (trimethylphosphine)

using model chemistry: CCD/aug-cc-pVTZ

States and conformations

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