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	hartrees
Energy at 0K	-460.274353
Energy at 298.15K	-460.283838
HF Energy	-459.629504
Nuclear repulsion energy	176.611793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3155	2991	45.17
2	A₁	3065	2906	26.73
3	A₁	1496	1419	9.86
4	A₁	1381	1309	3.44
5	A₁	994	942	25.83
6	A₁	667	632	0.55
7	A₁	295	280	1.00
8	A₂	3166	3001	0.00
9	A₂	1478	1401	0.00
10	A₂	801	759	0.00
11	A₂	70	66	0.00
12	E	3167	3002	18.33
12	E	3167	3002	18.33
13	E	3155	2991	4.72
13	E	3155	2991	4.72
14	E	3066	2907	20.12
14	E	3066	2907	20.12
15	E	1496	1418	7.06
15	E	1496	1418	7.06
16	E	1477	1400	5.98
16	E	1477	1400	5.98
17	E	1354	1284	2.80
17	E	1354	1284	2.80
18	E	975	924	17.96
18	E	975	924	17.96
19	E	858	813	0.01
19	E	858	813	0.01
20	E	724	686	12.57
20	E	724	686	12.57
21	E	252	238	0.35
21	E	252	238	0.35
22	E	182	172	0.01
22	E	182	172	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.613
C2	0.000	1.631	-0.283
C3	1.413	-0.816	-0.283
C4	-1.413	-0.816	-0.283
H5	0.000	1.499	-1.368
H6	-0.881	2.207	0.003
H7	0.881	2.207	0.003
H8	1.298	-0.749	-1.368
H9	2.352	-0.341	0.003
H10	1.471	-1.867	0.003
H11	-1.298	-0.749	-1.368
H12	-1.471	-1.867	0.003
H13	-2.352	-0.341	0.003

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8612	1.8612	1.8612	2.4833	2.4535	2.4535	2.4833	2.4535	2.4535	2.4833	2.4535	2.4535
C2	1.8612		2.8256	2.8256	1.0924	1.0908	1.0908	2.9201	3.0825	3.8055	2.9201	3.8055	3.0825
C3	1.8612	2.8256		2.8256	2.9201	3.8054	3.0825	1.0924	1.0908	1.0908	2.9201	3.0825	3.8055
C4	1.8612	2.8256	2.8256		2.9201	3.0825	3.8054	2.9201	3.8055	3.0825	1.0924	1.0908	1.0908
H5	2.4833	1.0924	2.9201	2.9201		1.7767	1.7767	2.5955	3.2851	3.9199	2.5955	3.9199	3.2851
H6	2.4535	1.0908	3.8054	3.0825	1.7767		1.7623	3.9199	4.1163	4.7040	3.2851	4.1163	2.9418
H7	2.4535	1.0908	3.0825	3.8054	1.7767	1.7623		3.2851	2.9418	4.1163	3.9199	4.7040	4.1163
H8	2.4833	2.9201	1.0924	2.9201	2.5955	3.9199	3.2851		1.7767	1.7767	2.5955	3.2851	3.9199
H9	2.4535	3.0825	1.0908	3.8055	3.2851	4.1163	2.9418	1.7767		1.7623	3.9199	4.1163	4.7040
H10	2.4535	3.8055	1.0908	3.0825	3.9199	4.7040	4.1163	1.7767	1.7623		3.2851	2.9418	4.1163
H11	2.4833	2.9201	2.9201	1.0924	2.5955	3.2851	3.9199	2.5955	3.9199	3.2851		1.7767	1.7767
H12	2.4535	3.8055	3.0825	1.0908	3.9199	4.1163	4.7040	3.2851	4.1163	2.9418	1.7767		1.7623
H13	2.4535	3.0825	3.8055	1.0908	3.2851	2.9418	4.1163	3.9199	4.7040	4.1163	1.7767	1.7623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.793	P1	C2	H6	109.658
P1	C2	H7	109.658	P1	C3	H8	111.793
P1	C3	H9	109.658	P1	C3	H10	109.658
P1	C4	H11	111.793	P1	C4	H12	109.658
P1	C4	H13	109.658	C2	P1	C3	98.764
C2	P1	C4	98.764	C3	P1	C4	98.764
H5	C2	H6	108.940	H5	C2	H7	108.940
H6	C2	H7	107.760	H8	C3	H9	108.940
H8	C3	H10	108.940	H9	C3	H10	107.760
H11	C4	H12	108.940	H11	C4	H13	108.940
H12	C4	H13	107.760

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

using model chemistry: CCD/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: CCD/TZVP

States and conformations

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