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	hartrees
Energy at 0K	-459.495243
Energy at 298.15K	-459.505141
HF Energy	-459.495243
Nuclear repulsion energy	174.787412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3298	2970	82.27
2	A₁	3200	2882	34.14
3	A₁	1635	1472	18.77
4	A₁	1512	1361	6.99
5	A₁	1116	1005	45.19
6	A₁	665	599	0.18
7	A₁	304	274	0.30
8	A₂	3305	2976	0.00
9	A₂	1612	1451	0.00
10	A₂	924	832	0.00
11	A₂	172	155	0.00
12	E	3307	2977	35.73
12	E	3307	2977	35.73
13	E	3295	2967	8.66
13	E	3295	2967	8.66
14	E	3198	2880	54.70
14	E	3198	2880	54.70
15	E	1627	1465	14.68
15	E	1627	1465	14.68
16	E	1618	1457	6.18
16	E	1618	1457	6.18
17	E	1488	1339	9.00
17	E	1488	1339	9.00
18	E	1092	983	29.05
18	E	1092	983	29.05
19	E	975	878	0.36
19	E	975	878	0.36
20	E	728	656	9.73
20	E	728	656	9.73
21	E	261	235	0.22
21	E	261	235	0.22
22	E	199	179	0.02
22	E	199	179	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.603
C2	0.000	1.667	-0.280
C3	1.444	-0.834	-0.280
C4	-1.444	-0.834	-0.280
H5	0.000	1.552	-1.358
H6	-0.877	2.232	0.012
H7	0.877	2.232	0.012
H8	1.344	-0.776	-1.358
H9	2.371	-0.357	0.012
H10	1.494	-1.875	0.012
H11	-1.344	-0.776	-1.358
H12	-1.494	-1.875	0.012
H13	-2.371	-0.357	0.012

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8866	1.8866	1.8866	2.5008	2.4695	2.4695	2.5008	2.4695	2.4695	2.5008	2.4695	2.4695
C2	1.8866		2.8876	2.8876	1.0840	1.0828	1.0828	2.9896	3.1309	3.8556	2.9896	3.8556	3.1309
C3	1.8866	2.8876		2.8876	2.9896	3.8556	3.1309	1.0840	1.0828	1.0828	2.9896	3.1309	3.8556
C4	1.8866	2.8876	2.8876		2.9896	3.1309	3.8556	2.9896	3.8556	3.1309	1.0840	1.0828	1.0828
H5	2.5008	1.0840	2.9896	2.9896		1.7626	1.7626	2.6882	3.3378	3.9817	2.6882	3.9817	3.3378
H6	2.4695	1.0828	3.8556	3.1309	1.7626		1.7532	3.9817	4.1529	4.7420	3.3378	4.1529	2.9888
H7	2.4695	1.0828	3.1309	3.8556	1.7626	1.7532		3.3378	2.9888	4.1529	3.9817	4.7420	4.1529
H8	2.5008	2.9896	1.0840	2.9896	2.6882	3.9817	3.3378		1.7626	1.7626	2.6882	3.3378	3.9817
H9	2.4695	3.1309	1.0828	3.8556	3.3378	4.1529	2.9888	1.7626		1.7532	3.9817	4.1529	4.7420
H10	2.4695	3.8556	1.0828	3.1309	3.9817	4.7420	4.1529	1.7626	1.7532		3.3378	2.9888	4.1529
H11	2.5008	2.9896	2.9896	1.0840	2.6882	3.3378	3.9817	2.6882	3.9817	3.3378		1.7626	1.7626
H12	2.4695	3.8556	3.1309	1.0828	3.9817	4.1529	4.7420	3.3378	4.1529	2.9888	1.7626		1.7532
H13	2.4695	3.1309	3.8556	1.0828	3.3378	2.9888	4.1529	3.9817	4.7420	4.1529	1.7626	1.7532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.811	P1	C2	H6	109.543
P1	C2	H7	109.543	P1	C3	H8	111.811
P1	C3	H9	109.543	P1	C3	H10	109.543
P1	C4	H11	111.811	P1	C4	H12	109.543
P1	C4	H13	109.543	C2	P1	C3	99.866
C2	P1	C4	99.866	C3	P1	C4	99.866
H5	C2	H6	108.874	H5	C2	H7	108.874
H6	C2	H7	108.118	H8	C3	H9	108.874
H8	C3	H10	108.874	H9	C3	H10	108.118
H11	C4	H12	108.874	H11	C4	H13	108.874
H12	C4	H13	108.118

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

using model chemistry: HF/SDD

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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Number	Element	Mulliken
1	P	0.694
2	C	-0.870
3	C	-0.870
4	C	-0.870
5	H	0.205
6	H	0.217
7	H	0.217
8	H	0.205
9	H	0.217
10	H	0.217
11	H	0.205
12	H	0.217
13	H	0.217

<r²>	126.653
(<r²>)^1/2	11.254

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

using model chemistry: HF/SDD

States and conformations

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