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	hartrees
Energy at 0K	-460.489637
Energy at 298.15K	-460.499420
HF Energy	-459.646827
Nuclear repulsion energy	178.193545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3156	2943	29.90
2	A₁	3084	2876	26.80
3	A₁	1513	1411	10.01
4	A₁	1358	1267	6.63
5	A₁	984	918	23.11
6	A₁	679	633	0.49
7	A₁	297	277	0.59
8	A₂	3167	2954	0.00
9	A₂	1489	1388	0.00
10	A₂	792	738	0.00
11	A₂	185	172	0.00
12	E	3167	2954	11.42
12	E	3167	2954	11.42
13	E	3156	2944	3.56
13	E	3156	2944	3.56
14	E	3087	2879	12.89
14	E	3087	2879	12.89
15	E	1504	1403	8.13
15	E	1504	1403	8.13
16	E	1494	1393	4.22
16	E	1494	1393	4.22
17	E	1336	1246	4.37
17	E	1336	1246	4.37
18	E	969	903	19.64
18	E	969	903	19.64
19	E	847	790	0.38
19	E	847	790	0.38
20	E	736	687	13.42
20	E	736	687	13.42
21	E	255	238	0.21
21	E	255	238	0.21
22	E	210	196	0.00
22	E	210	196	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.607
C2	0.000	1.616	-0.281
C3	1.399	-0.808	-0.281
C4	-1.399	-0.808	-0.281
H5	0.000	1.480	-1.359
H6	-0.877	2.187	0.004
H7	0.877	2.187	0.004
H8	1.282	-0.740	-1.359
H9	2.332	-0.334	0.004
H10	1.456	-1.853	0.004
H11	-1.282	-0.740	-1.359
H12	-1.456	-1.853	0.004
H13	-2.332	-0.334	0.004

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8432	1.8432	1.8432	2.4604	2.4320	2.4320	2.4604	2.4320	2.4320	2.4604	2.4320	2.4320
C2	1.8432		2.7981	2.7981	1.0865	1.0845	1.0845	2.8903	3.0532	3.7721	2.8903	3.7721	3.0532
C3	1.8432	2.7981		2.7981	2.8903	3.7721	3.0532	1.0865	1.0845	1.0845	2.8903	3.0532	3.7721
C4	1.8432	2.7981	2.7981		2.8903	3.0532	3.7721	2.8903	3.7721	3.0532	1.0865	1.0845	1.0845
H5	2.4604	1.0865	2.8903	2.8903		1.7678	1.7678	2.5637	3.2540	3.8838	2.5637	3.8838	3.2540
H6	2.4320	1.0845	3.7721	3.0532	1.7678		1.7535	3.8838	4.0810	4.6647	3.2540	4.0810	2.9112
H7	2.4320	1.0845	3.0532	3.7721	1.7678	1.7535		3.2540	2.9112	4.0810	3.8838	4.6647	4.0810
H8	2.4604	2.8903	1.0865	2.8903	2.5637	3.8838	3.2540		1.7678	1.7678	2.5637	3.2540	3.8838
H9	2.4320	3.0532	1.0845	3.7721	3.2540	4.0810	2.9112	1.7678		1.7535	3.8838	4.0810	4.6647
H10	2.4320	3.7721	1.0845	3.0532	3.8838	4.6647	4.0810	1.7678	1.7535		3.2540	2.9112	4.0810
H11	2.4604	2.8903	2.8903	1.0865	2.5637	3.2540	3.8838	2.5637	3.8838	3.2540		1.7678	1.7678
H12	2.4320	3.7721	3.0532	1.0845	3.8838	4.0810	4.6647	3.2540	4.0810	2.9112	1.7678		1.7535
H13	2.4320	3.0532	3.7721	1.0845	3.2540	2.9112	4.0810	3.8838	4.6647	4.0810	1.7678	1.7535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.623	P1	C2	H6	109.603
P1	C2	H7	109.603	P1	C3	H8	111.622
P1	C3	H9	109.603	P1	C3	H10	109.603
P1	C4	H11	111.622	P1	C4	H12	109.603
P1	C4	H13	109.603	C2	P1	C3	98.762
C2	P1	C4	98.762	C3	P1	C4	98.762
H5	C2	H6	109.027	H5	C2	H7	109.027
H6	C2	H7	107.878	H8	C3	H9	109.027
H8	C3	H10	109.027	H9	C3	H10	107.878
H11	C4	H12	109.027	H11	C4	H13	109.027
H12	C4	H13	107.878

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

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVTZ

States and conformations

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