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	hartrees
Energy at 0K	-461.008645
Energy at 298.15K	-461.018324
HF Energy	-461.008645
Nuclear repulsion energy	176.292663

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3135	2999	39.45
2	A₁	3048	2916	25.99
3	A₁	1511	1446	9.71
4	A₁	1371	1311	2.71
5	A₁	997	954	47.59
6	A₁	652	624	0.13
7	A₁	295	282	0.12
8	A₂	3148	3012	0.00
9	A₂	1483	1419	0.00
10	A₂	803	768	0.00
11	A₂	182	174	0.00
12	E	3149	3012	15.07
12	E	3149	3012	15.08
13	E	3135	3000	2.99
13	E	3135	3000	2.99
14	E	3049	2917	16.87
14	E	3049	2917	16.88
15	E	1501	1436	12.20
15	E	1501	1436	12.20
16	E	1490	1425	5.20
16	E	1490	1425	5.20
17	E	1343	1285	5.24
17	E	1343	1285	5.24
18	E	977	934	26.42
18	E	977	934	26.43
19	E	852	815	0.62
19	E	852	815	0.62
20	E	712	681	10.89
20	E	712	681	10.90
21	E	251	240	0.07
21	E	250	240	0.07
22	E	208	199	0.05
22	E	208	199	0.05

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.601
C2	0.000	1.638	-0.279
C3	1.418	-0.819	-0.279
C4	-1.418	-0.819	-0.279
H5	0.000	1.534	-1.371
H6	-0.883	2.213	0.018
H7	0.883	2.213	0.018
H8	1.328	-0.767	-1.371
H9	2.358	-0.342	0.018
H10	1.475	-1.872	0.018
H11	-1.328	-0.767	-1.371
H12	-1.475	-1.872	0.018
H13	-2.358	-0.342	0.018

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8590	1.8590	1.8590	2.4986	2.4533	2.4533	2.4986	2.4533	2.4533	2.4986	2.4533	2.4533
C2	1.8590		2.8363	2.8363	1.0973	1.0955	1.0955	2.9562	3.0932	3.8182	2.9562	3.8182	3.0932
C3	1.8590	2.8363		2.8363	2.9562	3.8182	3.0932	1.0973	1.0955	1.0955	2.9562	3.0932	3.8182
C4	1.8590	2.8363	2.8363		2.9562	3.0932	3.8182	2.9562	3.8182	3.0932	1.0973	1.0955	1.0955
H5	2.4986	1.0973	2.9562	2.9562		1.7812	1.7812	2.6566	3.3181	3.9628	2.6566	3.9628	3.3181
H6	2.4533	1.0955	3.8182	3.0932	1.7812		1.7667	3.9628	4.1276	4.7169	3.3181	4.1276	2.9502
H7	2.4533	1.0955	3.0932	3.8182	1.7812	1.7667		3.3181	2.9502	4.1276	3.9628	4.7169	4.1276
H8	2.4986	2.9562	1.0973	2.9562	2.6566	3.9628	3.3181		1.7812	1.7812	2.6566	3.3181	3.9628
H9	2.4533	3.0932	1.0955	3.8182	3.3181	4.1276	2.9502	1.7812		1.7667	3.9628	4.1276	4.7169
H10	2.4533	3.8182	1.0955	3.0932	3.9628	4.7169	4.1276	1.7812	1.7667		3.3181	2.9502	4.1276
H11	2.4986	2.9562	2.9562	1.0973	2.6566	3.3181	3.9628	2.6566	3.9628	3.3181		1.7812	1.7812
H12	2.4533	3.8182	3.0932	1.0955	3.9628	4.1276	4.7169	3.3181	4.1276	2.9502	1.7812		1.7667
H13	2.4533	3.0932	3.8182	1.0955	3.3181	2.9502	4.1276	3.9628	4.7169	4.1276	1.7812	1.7667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.829	P1	C2	H6	109.547
P1	C2	H7	109.547	P1	C3	H8	112.829
P1	C3	H9	109.547	P1	C3	H10	109.547
P1	C4	H11	112.829	P1	C4	H12	109.547
P1	C4	H13	109.547	C2	P1	C3	99.430
C2	P1	C4	99.430	C3	P1	C4	99.431
H5	C2	H6	108.642	H5	C2	H7	108.642
H6	C2	H7	107.486	H8	C3	H9	108.642
H8	C3	H10	108.642	H9	C3	H10	107.486
H11	C4	H12	108.642	H11	C4	H13	108.642
H12	C4	H13	107.486

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

using model chemistry: B3PW91/6-31G*

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	0.411
2	C	-0.695
3	C	-0.695
4	C	-0.695
5	H	0.178
6	H	0.190
7	H	0.190
8	H	0.178
9	H	0.190
10	H	0.190
11	H	0.178
12	H	0.190
13	H	0.190

<r²>	123.301
(<r²>)^1/2	11.104

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

using model chemistry: B3PW91/6-31G*

States and conformations

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