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	hartrees
Energy at 0K	-459.594111
Energy at 298.15K	-459.604109
HF Energy	-459.594111
Nuclear repulsion energy	177.337496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3241	2934	52.39
2	A₁	3162	2863	21.63
3	A₁	1599	1448	5.85
4	A₁	1465	1327	2.22
5	A₁	1058	958	36.73
6	A₁	692	626	0.50
7	A₁	312	282	0.24
8	A₂	3246	2939	0.00
9	A₂	1580	1430	0.00
10	A₂	848	768	0.00
11	A₂	195	177	0.00
12	E	3248	2941	23.81
12	E	3248	2941	23.81
13	E	3238	2932	4.28
13	E	3238	2932	4.28
14	E	3161	2862	21.40
14	E	3161	2862	21.40
15	E	1594	1443	6.36
15	E	1594	1443	6.36
16	E	1580	1430	3.98
16	E	1580	1430	3.98
17	E	1442	1306	1.62
17	E	1442	1306	1.62
18	E	1037	939	25.02
18	E	1037	939	25.02
19	E	906	820	0.14
19	E	906	820	0.14
20	E	754	683	12.79
20	E	754	683	12.79
21	E	266	241	0.12
21	E	266	241	0.12
22	E	224	202	0.00
22	E	224	202	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.585
C2	0.000	1.637	-0.271
C3	1.418	-0.818	-0.271
C4	-1.418	-0.818	-0.271
H5	0.000	1.540	-1.353
H6	-0.876	2.203	0.028
H7	0.876	2.203	0.028
H8	1.334	-0.770	-1.353
H9	2.346	-0.342	0.028
H10	1.469	-1.860	0.028
H11	-1.334	-0.770	-1.353
H12	-1.469	-1.860	0.028
H13	-2.346	-0.342	0.028

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8473	1.8473	1.8473	2.4758	2.4352	2.4352	2.4758	2.4352	2.4352	2.4758	2.4352	2.4352
C2	1.8473		2.8351	2.8351	1.0864	1.0854	1.0854	2.9570	3.0839	3.8052	2.9570	3.8052	3.0839
C3	1.8473	2.8351		2.8351	2.9570	3.8052	3.0839	1.0864	1.0854	1.0854	2.9570	3.0839	3.8052
C4	1.8473	2.8351	2.8351		2.9570	3.0839	3.8052	2.9570	3.8052	3.0839	1.0864	1.0854	1.0854
H5	2.4758	1.0864	2.9570	2.9570		1.7652	1.7652	2.6678	3.3101	3.9538	2.6678	3.9538	3.3101
H6	2.4352	1.0854	3.8052	3.0839	1.7652		1.7528	3.9538	4.1062	4.6917	3.3101	4.1062	2.9390
H7	2.4352	1.0854	3.0839	3.8052	1.7652	1.7528		3.3101	2.9390	4.1062	3.9538	4.6917	4.1062
H8	2.4758	2.9570	1.0864	2.9570	2.6678	3.9538	3.3101		1.7652	1.7652	2.6678	3.3101	3.9538
H9	2.4352	3.0839	1.0854	3.8052	3.3101	4.1062	2.9390	1.7652		1.7528	3.9538	4.1062	4.6917
H10	2.4352	3.8052	1.0854	3.0839	3.9538	4.6917	4.1062	1.7652	1.7528		3.3101	2.9390	4.1062
H11	2.4758	2.9570	2.9570	1.0864	2.6678	3.3101	3.9538	2.6678	3.9538	3.3101		1.7652	1.7652
H12	2.4352	3.8052	3.0839	1.0854	3.9538	4.1062	4.6917	3.3101	4.1062	2.9390	1.7652		1.7528
H13	2.4352	3.0839	3.8052	1.0854	3.3101	2.9390	4.1062	3.9538	4.6917	4.1062	1.7652	1.7528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.512	P1	C2	H6	109.519
P1	C2	H7	109.519	P1	C3	H8	112.512
P1	C3	H9	109.519	P1	C3	H10	109.519
P1	C4	H11	112.512	P1	C4	H12	109.519
P1	C4	H13	109.519	C2	P1	C3	100.238
C2	P1	C4	100.238	C3	P1	C4	100.238
H5	C2	H6	108.737	H5	C2	H7	108.737
H6	C2	H7	107.695	H8	C3	H9	108.737
H8	C3	H10	108.737	H9	C3	H10	107.695
H11	C4	H12	108.737	H11	C4	H13	108.737
H12	C4	H13	107.695

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

using model chemistry: HF/6-31G(2df,p)

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	0.234
2	C	-0.514
3	C	-0.514
4	C	-0.514
5	H	0.137
6	H	0.150
7	H	0.150
8	H	0.137
9	H	0.150
10	H	0.150
11	H	0.137
12	H	0.150
13	H	0.150

<r²>	122.881
(<r²>)^1/2	11.085

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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