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	hartrees
Energy at 0K	-460.766190
Energy at 298.15K	-460.775917
HF Energy	-460.599655
Nuclear repulsion energy	176.410735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3152	2992	40.85
2	A₁	3068	2913	25.78
3	A₁	1535	1457	7.75
4	A₁	1398	1327	2.33
5	A₁	1013	961	43.57
6	A₁	658	624	0.27
7	A₁	296	281	0.23
8	A₂	3166	3005	0.00
9	A₂	1510	1433	0.00
10	A₂	820	778	0.00
11	A₂	182	172	0.00
12	E	3166	3006	16.75
12	E	3166	3006	16.75
13	E	3152	2992	3.89
13	E	3152	2992	3.89
14	E	3070	2914	15.65
14	E	3070	2914	15.64
15	E	1526	1448	9.83
15	E	1526	1448	9.83
16	E	1515	1438	5.05
16	E	1515	1438	5.05
17	E	1372	1303	3.07
17	E	1372	1303	3.07
18	E	993	943	23.99
18	E	993	943	23.99
19	E	872	828	0.38
19	E	872	828	0.38
20	E	718	681	10.90
20	E	718	681	10.90
21	E	252	240	0.11
21	E	252	240	0.11
22	E	208	197	0.02
22	E	208	197	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.605
C2	0.000	1.636	-0.280
C3	1.417	-0.818	-0.280
C4	-1.417	-0.818	-0.280
H5	0.000	1.524	-1.369
H6	-0.882	2.212	0.012
H7	0.882	2.212	0.012
H8	1.319	-0.762	-1.369
H9	2.357	-0.342	0.012
H10	1.474	-1.870	0.012
H11	-1.319	-0.762	-1.369
H12	-1.474	-1.870	0.012
H13	-2.357	-0.342	0.012

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8594	1.8594	1.8594	2.4934	2.4539	2.4539	2.4934	2.4539	2.4539	2.4934	2.4539	2.4539
C2	1.8594		2.8332	2.8332	1.0953	1.0935	1.0935	2.9456	3.0902	3.8144	2.9456	3.8144	3.0902
C3	1.8594	2.8332		2.8332	2.9456	3.8144	3.0902	1.0953	1.0935	1.0935	2.9456	3.0902	3.8144
C4	1.8594	2.8332	2.8332		2.9456	3.0902	3.8144	2.9456	3.8144	3.0902	1.0953	1.0935	1.0935
H5	2.4934	1.0953	2.9456	2.9456		1.7778	1.7778	2.6389	3.3078	3.9495	2.6389	3.9495	3.3078
H6	2.4539	1.0935	3.8144	3.0902	1.7778		1.7649	3.9495	4.1246	4.7134	3.3078	4.1246	2.9484
H7	2.4539	1.0935	3.0902	3.8144	1.7778	1.7649		3.3078	2.9484	4.1246	3.9495	4.7134	4.1246
H8	2.4934	2.9456	1.0953	2.9456	2.6389	3.9495	3.3078		1.7778	1.7778	2.6390	3.3078	3.9495
H9	2.4539	3.0902	1.0935	3.8144	3.3078	4.1246	2.9484	1.7778		1.7649	3.9495	4.1246	4.7134
H10	2.4539	3.8144	1.0935	3.0902	3.9495	4.7134	4.1246	1.7778	1.7649		3.3078	2.9484	4.1246
H11	2.4934	2.9456	2.9456	1.0953	2.6389	3.3078	3.9495	2.6390	3.9495	3.3078		1.7778	1.7778
H12	2.4539	3.8144	3.0902	1.0935	3.9495	4.1246	4.7134	3.3078	4.1246	2.9484	1.7778		1.7649
H13	2.4539	3.0902	3.8144	1.0935	3.3078	2.9484	4.1246	3.9495	4.7134	4.1246	1.7778	1.7649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.514	P1	C2	H6	109.665
P1	C2	H7	109.665	P1	C3	H8	112.514
P1	C3	H9	109.665	P1	C3	H10	109.665
P1	C4	H11	112.514	P1	C4	H12	109.665
P1	C4	H13	109.665	C2	P1	C3	99.257
C2	P1	C4	99.257	C3	P1	C4	99.257
H5	C2	H6	108.626	H5	C2	H7	108.626
H6	C2	H7	107.616	H8	C3	H9	108.626
H8	C3	H10	108.626	H9	C3	H10	107.616
H11	C4	H12	108.626	H11	C4	H13	108.626
H12	C4	H13	107.616

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

using model chemistry: B2PLYP/6-31G*

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	0.433
2	C	-0.646
3	C	-0.646
4	C	-0.646
5	H	0.160
6	H	0.171
7	H	0.171
8	H	0.160
9	H	0.171
10	H	0.171
11	H	0.160
12	H	0.171
13	H	0.171

<r²>	123.438
(<r²>)^1/2	11.110

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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