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	hartrees
Energy at 0K	-460.811910
Energy at 298.15K	-460.821609
HF Energy	-460.811910
Nuclear repulsion energy	176.853380

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3144	3003	37.64
2	A₁	3049	2913	33.85
3	A₁	1483	1417	16.16
4	A₁	1349	1288	6.03
5	A₁	982	938	32.92
6	A₁	663	633	0.19
7	A₁	296	283	0.71
8	A₂	3161	3020	0.00
9	A₂	1456	1391	0.00
10	A₂	794	758	0.00
11	A₂	179	171	0.00
12	E	3161	3019	10.90
12	E	3161	3019	10.91
13	E	3145	3004	1.96
13	E	3145	3004	1.96
14	E	3052	2915	19.89
14	E	3052	2915	19.89
15	E	1474	1408	16.22
15	E	1474	1408	16.22
16	E	1463	1398	6.21
16	E	1463	1398	6.21
17	E	1321	1262	10.19
17	E	1321	1262	10.20
18	E	967	924	22.44
18	E	967	924	22.44
19	E	844	806	0.30
19	E	844	806	0.30
20	E	722	690	12.87
20	E	722	690	12.88
21	E	253	241	0.19
21	E	253	241	0.19
22	E	207	198	0.02
22	E	207	198	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.600
C2	0.000	1.631	-0.278
C3	1.412	-0.815	-0.278
C4	-1.412	-0.815	-0.278
H5	0.000	1.520	-1.369
H6	-0.883	2.207	0.017
H7	0.883	2.207	0.017
H8	1.316	-0.760	-1.369
H9	2.352	-0.339	0.017
H10	1.470	-1.868	0.017
H11	-1.316	-0.760	-1.369
H12	-1.470	-1.868	0.017
H13	-2.352	-0.339	0.017

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8523	1.8523	1.8523	2.4879	2.4473	2.4473	2.4879	2.4473	2.4473	2.4879	2.4473	2.4473
C2	1.8523		2.8248	2.8248	1.0969	1.0945	1.0945	2.9395	3.0825	3.8064	2.9395	3.8064	3.0825
C3	1.8523	2.8248		2.8248	2.9395	3.8064	3.0825	1.0969	1.0945	1.0945	2.9395	3.0825	3.8064
C4	1.8523	2.8248	2.8248		2.9395	3.0825	3.8064	2.9395	3.8064	3.0825	1.0969	1.0945	1.0945
H5	2.4879	1.0969	2.9395	2.9395		1.7812	1.7812	2.6329	3.3034	3.9447	2.6329	3.9447	3.3034
H6	2.4473	1.0945	3.8064	3.0825	1.7812		1.7653	3.9447	4.1167	4.7050	3.3034	4.1167	2.9397
H7	2.4473	1.0945	3.0825	3.8064	1.7812	1.7653		3.3034	2.9397	4.1167	3.9447	4.7050	4.1167
H8	2.4879	2.9395	1.0969	2.9395	2.6329	3.9447	3.3034		1.7812	1.7812	2.6329	3.3034	3.9447
H9	2.4473	3.0825	1.0945	3.8064	3.3034	4.1167	2.9397	1.7812		1.7653	3.9447	4.1167	4.7050
H10	2.4473	3.8064	1.0945	3.0825	3.9447	4.7050	4.1167	1.7812	1.7653		3.3034	2.9397	4.1167
H11	2.4879	2.9395	2.9395	1.0969	2.6329	3.3034	3.9447	2.6329	3.9447	3.3034		1.7812	1.7812
H12	2.4473	3.8064	3.0825	1.0945	3.9447	4.1167	4.7050	3.3034	4.1167	2.9397	1.7812		1.7653
H13	2.4473	3.0825	3.8064	1.0945	3.3034	2.9397	4.1167	3.9447	4.7050	4.1167	1.7812	1.7653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.505	P1	C2	H6	109.602
P1	C2	H7	109.602	P1	C3	H8	112.505
P1	C3	H9	109.602	P1	C3	H10	109.602
P1	C4	H11	112.505	P1	C4	H12	109.602
P1	C4	H13	109.602	C2	P1	C3	99.369
C2	P1	C4	99.369	C3	P1	C4	99.369
H5	C2	H6	108.748	H5	C2	H7	108.748
H6	C2	H7	107.504	H8	C3	H9	108.748
H8	C3	H10	108.748	H9	C3	H10	107.504
H11	C4	H12	108.748	H11	C4	H13	108.748
H12	C4	H13	107.504

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

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

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	0.290
2	C	-0.658
3	C	-0.658
4	C	-0.658
5	H	0.179
6	H	0.191
7	H	0.191
8	H	0.179
9	H	0.191
10	H	0.191
11	H	0.179
12	H	0.191
13	H	0.191

<r²>	123.166
(<r²>)^1/2	11.098

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

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

States and conformations

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