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	hartrees
Energy at 0K	-460.204681
Energy at 298.15K	-460.214399
HF Energy	-459.584118
Nuclear repulsion energy	176.933964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	3004	45.90
2	A₁	3095	2916	31.75
3	A₁	1515	1428	11.61
4	A₁	1407	1326	3.69
5	A₁	1009	951	29.12
6	A₁	675	636	0.81
7	A₁	292	275	1.63
8	A₂	3202	3017	0.00
9	A₂	1501	1414	0.00
10	A₂	820	773	0.00
11	A₂	161	151	0.00
12	E	3202	3017	17.80
12	E	3202	3017	17.80
13	E	3187	3003	4.49
13	E	3187	3003	4.49
14	E	3095	2917	21.60
14	E	3095	2917	21.60
15	E	1515	1428	10.02
15	E	1515	1428	10.02
16	E	1503	1416	5.45
16	E	1503	1416	5.45
17	E	1382	1302	4.85
17	E	1382	1302	4.85
18	E	995	937	18.07
18	E	995	937	18.07
19	E	874	824	0.00
19	E	874	824	0.00
20	E	736	694	13.02
20	E	736	694	13.02
21	E	255	240	0.36
21	E	255	240	0.36
22	E	197	186	0.00
22	E	197	186	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.605
C2	0.000	1.630	-0.279
C3	1.412	-0.815	-0.279
C4	-1.412	-0.815	-0.279
H5	0.000	1.507	-1.365
H6	-0.880	2.207	0.008
H7	0.880	2.207	0.008
H8	1.305	-0.754	-1.365
H9	2.351	-0.341	0.008
H10	1.471	-1.866	0.008
H11	-1.305	-0.754	-1.365
H12	-1.471	-1.866	0.008
H13	-2.351	-0.341	0.008

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8545	1.8545	1.8545	2.4806	2.4497	2.4497	2.4806	2.4497	2.4497	2.4806	2.4497	2.4497
C2	1.8545		2.8234	2.8234	1.0927	1.0906	1.0906	2.9266	3.0814	3.8034	2.9266	3.8034	3.0814
C3	1.8545	2.8234		2.8234	2.9266	3.8034	3.0814	1.0927	1.0906	1.0906	2.9266	3.0814	3.8034
C4	1.8545	2.8234	2.8234		2.9266	3.0814	3.8034	2.9266	3.8034	3.0814	1.0927	1.0906	1.0906
H5	2.4806	1.0927	2.9266	2.9266		1.7742	1.7742	2.6106	3.2906	3.9273	2.6106	3.9273	3.2906
H6	2.4497	1.0906	3.8034	3.0814	1.7742		1.7604	3.9273	4.1148	4.7022	3.2906	4.1148	2.9418
H7	2.4497	1.0906	3.0814	3.8034	1.7742	1.7604		3.2906	2.9418	4.1148	3.9273	4.7022	4.1148
H8	2.4806	2.9266	1.0927	2.9266	2.6106	3.9273	3.2906		1.7742	1.7742	2.6106	3.2906	3.9273
H9	2.4497	3.0814	1.0906	3.8034	3.2906	4.1148	2.9418	1.7742		1.7604	3.9273	4.1148	4.7022
H10	2.4497	3.8034	1.0906	3.0814	3.9273	4.7022	4.1148	1.7742	1.7604		3.2906	2.9418	4.1148
H11	2.4806	2.9266	2.9266	1.0927	2.6106	3.2906	3.9273	2.6106	3.9273	3.2906		1.7742	1.7742
H12	2.4497	3.8034	3.0814	1.0906	3.9273	4.1148	4.7022	3.2906	4.1148	2.9418	1.7742		1.7604
H13	2.4497	3.0814	3.8034	1.0906	3.2906	2.9418	4.1148	3.9273	4.7022	4.1148	1.7742	1.7604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.026	P1	C2	H6	109.832
P1	C2	H7	109.832	P1	C3	H8	112.026
P1	C3	H9	109.832	P1	C3	H10	109.832
P1	C4	H11	112.026	P1	C4	H12	109.832
P1	C4	H13	109.832	C2	P1	C3	99.144
C2	P1	C4	99.144	C3	P1	C4	99.144
H5	C2	H6	108.707	H5	C2	H7	108.707
H6	C2	H7	107.624	H8	C3	H9	108.707
H8	C3	H10	108.707	H9	C3	H10	107.624
H11	C4	H12	108.707	H11	C4	H13	108.707
H12	C4	H13	107.624

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

using model chemistry: CCD/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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All results from a given calculation for P(CH3)3 (trimethylphosphine)

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

States and conformations

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