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	hartrees
Energy at 0K	-460.108654
Energy at 298.15K	-460.118549
HF Energy	-459.609164
Nuclear repulsion energy	177.638644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3201	2974	43.47
2	A₁	3119	2897	28.76
3	A₁	1559	1449	14.55
4	A₁	1439	1337	5.44
5	A₁	1042	968	50.11
6	A₁	694	645	0.44
7	A₁	308	286	1.16
8	A₂	3212	2984	0.00
9	A₂	1531	1422	0.00
10	A₂	840	781	0.00
11	A₂	175	162	0.00
12	E	3213	2985	17.76
12	E	3213	2985	17.76
13	E	3200	2973	4.10
13	E	3200	2973	4.10
14	E	3117	2896	19.04
14	E	3117	2896	19.04
15	E	1548	1438	14.63
15	E	1548	1438	14.63
16	E	1538	1429	4.15
16	E	1538	1429	4.15
17	E	1414	1314	11.89
17	E	1414	1314	11.89
18	E	1019	946	25.78
18	E	1019	946	25.78
19	E	898	834	0.21
19	E	898	834	0.21
20	E	752	698	12.78
20	E	752	698	12.78
21	E	264	245	0.25
21	E	264	245	0.25
22	E	213	198	0.02
22	E	213	198	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.598
C2	0.000	1.624	-0.276
C3	1.406	-0.812	-0.276
C4	-1.406	-0.812	-0.276
H5	0.000	1.514	-1.360
H6	-0.877	2.200	0.013
H7	0.877	2.200	0.013
H8	1.311	-0.757	-1.360
H9	2.344	-0.340	0.013
H10	1.467	-1.860	0.013
H11	-1.311	-0.757	-1.360
H12	-1.467	-1.860	0.013
H13	-2.344	-0.340	0.013

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8443	1.8443	1.8443	2.4757	2.4396	2.4396	2.4757	2.4396	2.4396	2.4757	2.4396	2.4396
C2	1.8443		2.8129	2.8129	1.0900	1.0884	1.0884	2.9266	3.0718	3.7908	2.9266	3.7908	3.0718
C3	1.8443	2.8129		2.8129	2.9266	3.7908	3.0718	1.0900	1.0884	1.0884	2.9266	3.0718	3.7908
C4	1.8443	2.8129	2.8129		2.9266	3.0718	3.7908	2.9266	3.7908	3.0718	1.0900	1.0884	1.0884
H5	2.4757	1.0900	2.9266	2.9266		1.7681	1.7681	2.6225	3.2892	3.9268	2.6225	3.9268	3.2892
H6	2.4396	1.0884	3.7908	3.0718	1.7681		1.7542	3.9268	4.1022	4.6876	3.2892	4.1022	2.9334
H7	2.4396	1.0884	3.0718	3.7908	1.7681	1.7542		3.2892	2.9334	4.1022	3.9268	4.6876	4.1022
H8	2.4757	2.9266	1.0900	2.9266	2.6225	3.9268	3.2892		1.7681	1.7681	2.6225	3.2892	3.9268
H9	2.4396	3.0718	1.0884	3.7908	3.2892	4.1022	2.9334	1.7681		1.7542	3.9268	4.1022	4.6876
H10	2.4396	3.7908	1.0884	3.0718	3.9268	4.6876	4.1022	1.7681	1.7542		3.2892	2.9334	4.1022
H11	2.4757	2.9266	2.9266	1.0900	2.6225	3.2892	3.9268	2.6225	3.9268	3.2892		1.7681	1.7681
H12	2.4396	3.7908	3.0718	1.0884	3.9268	4.1022	4.6876	3.2892	4.1022	2.9334	1.7681		1.7542
H13	2.4396	3.0718	3.7908	1.0884	3.2892	2.9334	4.1022	3.9268	4.6876	4.1022	1.7681	1.7542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.507	P1	C2	H6	109.886
P1	C2	H7	109.886	P1	C3	H8	112.507
P1	C3	H9	109.886	P1	C3	H10	109.886
P1	C4	H11	112.507	P1	C4	H12	109.886
P1	C4	H13	109.886	C2	P1	C3	99.381
C2	P1	C4	99.381	C3	P1	C4	99.381
H5	C2	H6	108.512	H5	C2	H7	108.512
H6	C2	H7	107.389	H8	C3	H9	108.512
H8	C3	H10	108.512	H9	C3	H10	107.389
H11	C4	H12	108.512	H11	C4	H13	108.512
H12	C4	H13	107.389

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

using model chemistry: CID/6-311G*

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

using model chemistry: CID/6-311G*

States and conformations

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