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	hartrees
Energy at 0K	-460.385487
Energy at 298.15K
HF Energy	-459.629196
Nuclear repulsion energy	176.359683

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3125	2988
2	A₁	3035	2901
3	A₁	1480	1415
4	A₁	1364	1304
5	A₁	981	938
6	A₁	656	627
7	A₁	291	278
8	A₂	3137	2999
9	A₂	1461	1396
10	A₂	789	754
11	A₂	17i	17i
12	E	3138	3000
12	E	3138	2999
13	E	3125	2987
13	E	3125	2987
14	E	3036	2902
14	E	3036	2902
15	E	1479	1414
15	E	1479	1414
16	E	1460	1396
16	E	1460	1396
17	E	1336	1278
17	E	1336	1277
18	E	962	920
18	E	962	920
19	E	846	809
19	E	846	809
20	E	712	681
20	E	712	681
21	E	250	239
21	E	249	238
22	E	176	168
22	E	175	167

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.619
C2	0.000	1.631	-0.286
C3	1.413	-0.816	-0.286
C4	-1.413	-0.816	-0.286
H5	0.000	1.490	-1.371
H6	-0.883	2.209	-0.003
H7	0.883	2.209	-0.003
H8	1.291	-0.745	-1.371
H9	2.354	-0.340	-0.003
H10	1.471	-1.869	-0.003
H11	-1.291	-0.745	-1.371
H12	-1.471	-1.869	-0.003
H13	-2.354	-0.340	-0.003

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8655	1.8655	1.8655	2.4860	2.4583	2.4583	2.4860	2.4583	2.4583	2.4860	2.4583	2.4583
C2	1.8655		2.8255	2.8255	1.0940	1.0923	1.0923	2.9137	3.0834	3.8073	2.9137	3.8073	3.0834
C3	1.8655	2.8255		2.8255	2.9137	3.8073	3.0834	1.0940	1.0923	1.0923	2.9137	3.0834	3.8073
C4	1.8655	2.8255	2.8255		2.9137	3.0834	3.8073	2.9137	3.8073	3.0834	1.0940	1.0923	1.0923
H5	2.4860	1.0940	2.9137	2.9137		1.7800	1.7800	2.5810	3.2807	3.9141	2.5810	3.9141	3.2807
H6	2.4583	1.0923	3.8073	3.0834	1.7800		1.7656	3.9141	4.1196	4.7081	3.2807	4.1196	2.9425
H7	2.4583	1.0923	3.0834	3.8073	1.7800	1.7656		3.2807	2.9425	4.1196	3.9141	4.7081	4.1196
H8	2.4860	2.9137	1.0940	2.9137	2.5810	3.9141	3.2807		1.7800	1.7800	2.5810	3.2807	3.9141
H9	2.4583	3.0834	1.0923	3.8073	3.2807	4.1196	2.9425	1.7800		1.7656	3.9141	4.1196	4.7081
H10	2.4583	3.8073	1.0923	3.0834	3.9141	4.7081	4.1196	1.7800	1.7656		3.2807	2.9425	4.1196
H11	2.4860	2.9137	2.9137	1.0940	2.5810	3.2807	3.9141	2.5810	3.9141	3.2807		1.7800	1.7800
H12	2.4583	3.8073	3.0834	1.0923	3.9141	4.1196	4.7081	3.2807	4.1196	2.9425	1.7800		1.7656
H13	2.4583	3.0834	3.8073	1.0923	3.2807	2.9425	4.1196	3.9141	4.7081	4.1196	1.7800	1.7656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.609	P1	C2	H6	109.639
P1	C2	H7	109.639	P1	C3	H8	111.609
P1	C3	H9	109.639	P1	C3	H10	109.639
P1	C4	H11	111.609	P1	C4	H12	109.639
P1	C4	H13	109.639	C2	P1	C3	98.450
C2	P1	C4	98.450	C3	P1	C4	98.450
H5	C2	H6	109.014	H5	C2	H7	109.014
H6	C2	H7	107.844	H8	C3	H9	109.014
H8	C3	H10	109.014	H9	C3	H10	107.844
H11	C4	H12	109.014	H11	C4	H13	109.014
H12	C4	H13	107.844

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

using model chemistry: CCSD(T)=FULL/TZVP

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: CCSD(T)=FULL/TZVP

States and conformations

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