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	hartrees
Energy at 0K	-459.623403
Energy at 298.15K	-459.633421
HF Energy	-459.623403
Nuclear repulsion energy	177.167172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3230	2934	59.58
2	A₁	3156	2867	33.97
3	A₁	1599	1453	10.39
4	A₁	1469	1335	2.63
5	A₁	1066	968	46.18
6	A₁	692	629	0.53
7	A₁	314	285	1.02
8	A₂	3237	2941	0.00
9	A₂	1576	1431	0.00
10	A₂	860	781	0.00
11	A₂	191	174	0.00
12	E	3239	2943	27.82
12	E	3239	2943	27.82
13	E	3227	2932	5.92
13	E	3227	2932	5.92
14	E	3154	2865	25.44
14	E	3154	2865	25.44
15	E	1591	1445	10.75
15	E	1591	1445	10.75
16	E	1580	1436	4.07
16	E	1580	1436	4.07
17	E	1446	1313	5.59
17	E	1446	1313	5.59
18	E	1043	947	24.81
18	E	1043	947	24.81
19	E	916	832	0.00
19	E	916	832	0.00
20	E	754	685	12.90
20	E	754	685	12.90
21	E	267	243	0.26
21	E	267	243	0.26
22	E	221	201	0.00
22	E	221	201	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.585
C2	0.000	1.639	-0.272
C3	1.419	-0.819	-0.272
C4	-1.419	-0.819	-0.272
H5	0.000	1.542	-1.354
H6	-0.876	2.205	0.028
H7	0.876	2.205	0.028
H8	1.336	-0.771	-1.354
H9	2.348	-0.344	0.028
H10	1.472	-1.861	0.028
H11	-1.336	-0.771	-1.354
H12	-1.472	-1.861	0.028
H13	-2.348	-0.344	0.028

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8494	1.8494	1.8494	2.4780	2.4377	2.4377	2.4780	2.4377	2.4377	2.4780	2.4377	2.4377
C2	1.8494		2.8386	2.8386	1.0868	1.0854	1.0854	2.9604	3.0878	3.8089	2.9604	3.8089	3.0878
C3	1.8494	2.8386		2.8387	2.9604	3.8089	3.0878	1.0868	1.0854	1.0854	2.9604	3.0878	3.8089
C4	1.8494	2.8386	2.8387		2.9604	3.0878	3.8089	2.9604	3.8089	3.0878	1.0868	1.0854	1.0854
H5	2.4780	1.0868	2.9604	2.9604		1.7654	1.7654	2.6713	3.3137	3.9574	2.6713	3.9574	3.3137
H6	2.4377	1.0854	3.8089	3.0878	1.7654		1.7522	3.9574	4.1102	4.6959	3.3137	4.1102	2.9437
H7	2.4377	1.0854	3.0878	3.8089	1.7654	1.7522		3.3137	2.9437	4.1102	3.9574	4.6959	4.1102
H8	2.4780	2.9604	1.0868	2.9604	2.6713	3.9574	3.3137		1.7654	1.7654	2.6713	3.3137	3.9574
H9	2.4377	3.0878	1.0854	3.8089	3.3137	4.1102	2.9437	1.7654		1.7522	3.9574	4.1102	4.6959
H10	2.4377	3.8089	1.0854	3.0878	3.9574	4.6959	4.1102	1.7654	1.7522		3.3137	2.9437	4.1102
H11	2.4780	2.9604	2.9604	1.0868	2.6713	3.3137	3.9574	2.6713	3.9574	3.3137		1.7654	1.7654
H12	2.4377	3.8089	3.0878	1.0854	3.9574	4.1102	4.6959	3.3137	4.1102	2.9437	1.7654		1.7522
H13	2.4377	3.0878	3.8089	1.0854	3.3137	2.9437	4.1102	3.9574	4.6959	4.1102	1.7654	1.7522

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.504	P1	C2	H6	109.555
P1	C2	H7	109.555	P1	C3	H8	112.504
P1	C3	H9	109.555	P1	C3	H10	109.555
P1	C4	H11	112.504	P1	C4	H12	109.555
P1	C4	H13	109.555	C2	P1	C3	100.249
C2	P1	C4	100.249	C3	P1	C4	100.249
H5	C2	H6	108.730	H5	C2	H7	108.730
H6	C2	H7	107.642	H8	C3	H9	108.730
H8	C3	H10	108.730	H9	C3	H10	107.642
H11	C4	H12	108.730	H11	C4	H13	108.730
H12	C4	H13	107.642

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

using model chemistry: HF/6-311G**

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	0.445
2	C	-0.496
3	C	-0.496
4	C	-0.496
5	H	0.106
6	H	0.120
7	H	0.120
8	H	0.106
9	H	0.120
10	H	0.120
11	H	0.106
12	H	0.120
13	H	0.120

<r²>	123.554
(<r²>)^1/2	11.115

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

using model chemistry: HF/6-311G**

States and conformations

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