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	hartrees
Energy at 0K	-460.248874
Energy at 298.15K	-460.258526
HF Energy	-459.596000
Nuclear repulsion energy	175.541369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3120	3009	40.04
2	A₁	3029	2921	28.41
3	A₁	1474	1422	7.94
4	A₁	1332	1285	3.72
5	A₁	971	936	21.67
6	A₁	654	631	0.68
7	A₁	289	278	0.96
8	A₂	3135	3024	0.00
9	A₂	1449	1398	0.00
10	A₂	787	759	0.00
11	A₂	165	159	0.00
12	E	3136	3024	17.25
12	E	3136	3024	17.25
13	E	3120	3009	4.91
13	E	3120	3009	4.91
14	E	3030	2922	18.74
14	E	3030	2922	18.74
15	E	1464	1412	7.28
15	E	1464	1412	7.28
16	E	1454	1402	2.85
16	E	1454	1402	2.85
17	E	1309	1262	1.36
17	E	1309	1262	1.36
18	E	956	922	16.36
18	E	956	922	16.36
19	E	840	810	0.12
19	E	840	810	0.12
20	E	712	687	11.44
20	E	712	687	11.44
21	E	249	240	0.20
21	E	249	240	0.20
22	E	204	196	0.00
22	E	204	196	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.618
C2	0.000	1.637	-0.285
C3	1.418	-0.819	-0.285
C4	-1.418	-0.819	-0.285
H5	0.000	1.501	-1.382
H6	-0.892	2.220	0.002
H7	0.892	2.220	0.002
H8	1.300	-0.750	-1.382
H9	2.369	-0.338	0.002
H10	1.477	-1.882	0.002
H11	-1.300	-0.750	-1.382
H12	-1.477	-1.882	0.002
H13	-2.369	-0.338	0.002

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8700	1.8700	1.8700	2.5004	2.4708	2.4708	2.5004	2.4708	2.4708	2.5004	2.4708	2.4708
C2	1.8700		2.8359	2.8359	1.1052	1.1033	1.1033	2.9313	3.0976	3.8278	2.9313	3.8278	3.0976
C3	1.8700	2.8359		2.8359	2.9313	3.8278	3.0976	1.1052	1.1033	1.1033	2.9313	3.0976	3.8278
C4	1.8700	2.8359	2.8359		2.9313	3.0976	3.8278	2.9313	3.8278	3.0976	1.1052	1.1033	1.1033
H5	2.5004	1.1052	2.9313	2.9313		1.7966	1.7966	2.5992	3.3024	3.9422	2.5992	3.9422	3.3024
H6	2.4708	1.1033	3.8278	3.0976	1.7966		1.7832	3.9422	4.1442	4.7374	3.3024	4.1442	2.9542
H7	2.4708	1.1033	3.0976	3.8278	1.7966	1.7832		3.3024	2.9542	4.1442	3.9422	4.7374	4.1442
H8	2.5004	2.9313	1.1052	2.9313	2.5992	3.9422	3.3024		1.7966	1.7966	2.5992	3.3024	3.9422
H9	2.4708	3.0976	1.1033	3.8278	3.3024	4.1442	2.9542	1.7966		1.7832	3.9422	4.1442	4.7374
H10	2.4708	3.8278	1.1033	3.0976	3.9422	4.7374	4.1442	1.7966	1.7832		3.3024	2.9542	4.1442
H11	2.5004	2.9313	2.9313	1.1052	2.5992	3.3024	3.9422	2.5992	3.9422	3.3024		1.7966	1.7966
H12	2.4708	3.8278	3.0976	1.1033	3.9422	4.1442	4.7374	3.3024	4.1442	2.9542	1.7966		1.7832
H13	2.4708	3.0976	3.8278	1.1033	3.3024	2.9542	4.1442	3.9422	4.7374	4.1442	1.7966	1.7832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.783	P1	C2	H6	109.694
P1	C2	H7	109.694	P1	C3	H8	111.783
P1	C3	H9	109.694	P1	C3	H10	109.694
P1	C4	H11	111.783	P1	C4	H12	109.694
P1	C4	H13	109.694	C2	P1	C3	98.622
C2	P1	C4	98.622	C3	P1	C4	98.622
H5	C2	H6	108.877	H5	C2	H7	108.877
H6	C2	H7	107.826	H8	C3	H9	108.877
H8	C3	H10	108.877	H9	C3	H10	107.826
H11	C4	H12	108.877	H11	C4	H13	108.877
H12	C4	H13	107.826

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

using model chemistry: CCD/aug-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: CCD/aug-cc-pVDZ

States and conformations

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