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	hartrees
Energy at 0K	-460.794827
Energy at 298.15K	-460.804557
HF Energy	-460.794827
Nuclear repulsion energy	176.759536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3151	3003	34.62
2	A₁	3061	2917	24.86
3	A₁	1513	1442	10.64
4	A₁	1373	1309	3.45
5	A₁	1000	953	47.88
6	A₁	665	633	0.09
7	A₁	296	282	0.13
8	A₂	3166	3017	0.00
9	A₂	1484	1414	0.00
10	A₂	803	765	0.00
11	A₂	183	174	0.00
12	E	3166	3017	12.42
12	E	3166	3017	12.43
13	E	3152	3004	2.59
13	E	3152	3004	2.59
14	E	3063	2919	14.63
14	E	3063	2919	14.63
15	E	1502	1431	12.80
15	E	1502	1431	12.80
16	E	1491	1421	5.53
16	E	1491	1421	5.53
17	E	1346	1283	6.86
17	E	1346	1283	6.87
18	E	980	934	26.65
18	E	980	934	26.65
19	E	855	815	0.68
19	E	855	815	0.68
20	E	724	690	10.70
20	E	724	690	10.70
21	E	252	240	0.08
21	E	252	240	0.08
22	E	209	199	0.05
22	E	209	199	0.05

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.602
C2	0.000	1.631	-0.279
C3	1.412	-0.815	-0.279
C4	-1.412	-0.815	-0.279
H5	0.000	1.521	-1.370
H6	-0.883	2.208	0.015
H7	0.883	2.208	0.015
H8	1.317	-0.760	-1.370
H9	2.353	-0.339	0.015
H10	1.470	-1.869	0.015
H11	-1.317	-0.760	-1.370
H12	-1.470	-1.869	0.015
H13	-2.353	-0.339	0.015

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8536	1.8536	1.8536	2.4911	2.4491	2.4491	2.4911	2.4491	2.4491	2.4911	2.4491	2.4491
C2	1.8536		2.8245	2.8245	1.0972	1.0951	1.0951	2.9401	3.0830	3.8071	2.9401	3.8071	3.0830
C3	1.8536	2.8245		2.8245	2.9401	3.8071	3.0830	1.0972	1.0951	1.0951	2.9401	3.0830	3.8071
C4	1.8536	2.8245	2.8245		2.9401	3.0830	3.8071	2.9401	3.8071	3.0830	1.0972	1.0951	1.0951
H5	2.4911	1.0972	2.9401	2.9401		1.7810	1.7810	2.6343	3.3043	3.9460	2.6343	3.9460	3.3043
H6	2.4491	1.0951	3.8071	3.0830	1.7810		1.7663	3.9460	4.1183	4.7069	3.3043	4.1183	2.9405
H7	2.4491	1.0951	3.0830	3.8071	1.7810	1.7663		3.3043	2.9405	4.1183	3.9460	4.7069	4.1183
H8	2.4911	2.9401	1.0972	2.9401	2.6343	3.9460	3.3043		1.7810	1.7810	2.6343	3.3043	3.9460
H9	2.4491	3.0830	1.0951	3.8071	3.3043	4.1183	2.9405	1.7810		1.7663	3.9460	4.1183	4.7069
H10	2.4491	3.8071	1.0951	3.0830	3.9460	4.7069	4.1183	1.7810	1.7663		3.3043	2.9405	4.1183
H11	2.4911	2.9401	2.9401	1.0972	2.6343	3.3043	3.9460	2.6343	3.9460	3.3043		1.7810	1.7810
H12	2.4491	3.8071	3.0830	1.0951	3.9460	4.1183	4.7069	3.3043	4.1183	2.9405	1.7810		1.7663
H13	2.4491	3.0830	3.8071	1.0951	3.3043	2.9405	4.1183	3.9460	4.7069	4.1183	1.7810	1.7663

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.644	P1	C2	H6	109.621
P1	C2	H7	109.621	P1	C3	H8	112.644
P1	C3	H9	109.621	P1	C3	H10	109.621
P1	C4	H11	112.644	P1	C4	H12	109.621
P1	C4	H13	109.621	C2	P1	C3	99.263
C2	P1	C4	99.263	C3	P1	C4	99.263
H5	C2	H6	108.657	H5	C2	H7	108.657
H6	C2	H7	107.502	H8	C3	H9	108.657
H8	C3	H10	108.657	H9	C3	H10	107.502
H11	C4	H12	108.657	H11	C4	H13	108.657
H12	C4	H13	107.502

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

using model chemistry: PBE1PBE/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	0.415
2	C	-0.711
3	C	-0.711
4	C	-0.711
5	H	0.183
6	H	0.195
7	H	0.195
8	H	0.183
9	H	0.195
10	H	0.195
11	H	0.183
12	H	0.195
13	H	0.195

<r²>	122.703
(<r²>)^1/2	11.077

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

using model chemistry: PBE1PBE/6-31G**

States and conformations

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