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	hartrees
Energy at 0K	-459.412023
Energy at 298.15K	-459.421467
HF Energy	-459.412023
Nuclear repulsion energy	174.869426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3094	3032	27.66
2	A₁	2980	2920	30.69
3	A₁	1466	1436	22.56
4	A₁	1330	1303	11.68
5	A₁	983	963	55.02
6	A₁	632	619	0.02
7	A₁	263	258	0.17
8	A₂	3118	3055	0.00
9	A₂	1430	1401	0.00
10	A₂	811	794	0.00
11	A₂	154	150	0.00
12	E	3118	3055	7.31
12	E	3118	3055	7.31
13	E	3095	3032	2.69
13	E	3095	3032	2.69
14	E	2986	2925	11.49
14	E	2986	2925	11.49
15	E	1450	1421	19.90
15	E	1450	1421	19.90
16	E	1445	1416	11.15
16	E	1445	1416	11.15
17	E	1301	1275	19.45
17	E	1301	1275	19.45
18	E	969	950	26.19
18	E	969	950	26.19
19	E	850	832	1.11
19	E	850	832	1.11
20	E	697	682	6.60
20	E	697	682	6.60
21	E	230	225	0.03
21	E	230	225	0.03
22	E	184	181	0.08
22	E	184	181	0.08

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.636
C2	0.000	1.640	-0.294
C3	1.420	-0.820	-0.294
C4	-1.420	-0.820	-0.294
H5	0.000	1.479	-1.388
H6	-0.893	2.220	-0.012
H7	0.893	2.220	-0.012
H8	1.281	-0.740	-1.388
H9	2.370	-0.336	-0.012
H10	1.476	-1.884	-0.012
H11	-1.281	-0.740	-1.388
H12	-1.476	-1.884	-0.012
H13	-2.370	-0.336	-0.012

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8850	1.8850	1.8850	2.5065	2.4794	2.4794	2.5065	2.4794	2.4794	2.5065	2.4794	2.4794
C2	1.8850		2.8402	2.8402	1.1056	1.1022	1.1022	2.9152	3.0984	3.8308	2.9152	3.8308	3.0984
C3	1.8850	2.8402		2.8402	2.9152	3.8308	3.0984	1.1056	1.1022	1.1022	2.9152	3.0984	3.8308
C4	1.8850	2.8402	2.8402		2.9152	3.0984	3.8308	2.9152	3.8308	3.0984	1.1056	1.1022	1.1022
H5	2.5065	1.1056	2.9152	2.9152		1.8002	1.8002	2.5618	3.2870	3.9220	2.5618	3.9220	3.2870
H6	2.4794	1.1022	3.8308	3.0984	1.8002		1.7868	3.9220	4.1454	4.7391	3.2870	4.1454	2.9523
H7	2.4794	1.1022	3.0984	3.8308	1.8002	1.7868		3.2870	2.9523	4.1454	3.9220	4.7391	4.1454
H8	2.5065	2.9152	1.1056	2.9152	2.5618	3.9220	3.2870		1.8002	1.8002	2.5618	3.2870	3.9220
H9	2.4794	3.0984	1.1022	3.8308	3.2870	4.1454	2.9523	1.8002		1.7868	3.9220	4.1454	4.7391
H10	2.4794	3.8308	1.1022	3.0984	3.9220	4.7391	4.1454	1.8002	1.7868		3.2870	2.9523	4.1454
H11	2.5065	2.9152	2.9152	1.1056	2.5618	3.2870	3.9220	2.5618	3.9220	3.2870		1.8002	1.8002
H12	2.4794	3.8308	3.0984	1.1022	3.9220	4.1454	4.7391	3.2870	4.1454	2.9523	1.8002		1.7868
H13	2.4794	3.0984	3.8308	1.1022	3.2870	2.9523	4.1454	3.9220	4.7391	4.1454	1.8002	1.7868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.194	P1	C2	H6	109.386
P1	C2	H7	109.386	P1	C3	H8	111.194
P1	C3	H9	109.386	P1	C3	H10	109.386
P1	C4	H11	111.194	P1	C4	H12	109.386
P1	C4	H13	109.386	C2	P1	C3	97.764
C2	P1	C4	97.764	C3	P1	C4	97.764
H5	C2	H6	109.259	H5	C2	H7	109.259
H6	C2	H7	108.306	H8	C3	H9	109.259
H8	C3	H10	109.259	H9	C3	H10	108.306
H11	C4	H12	109.259	H11	C4	H13	109.259
H12	C4	H13	108.306

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

using model chemistry: LSDA/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	0.484
2	C	-0.726
3	C	-0.726
4	C	-0.726
5	H	0.177
6	H	0.194
7	H	0.194
8	H	0.177
9	H	0.194
10	H	0.194
11	H	0.177
12	H	0.194
13	H	0.194

	x	y	z
x	8.670	0.000	0.000
y	0.000	8.670	0.001
z	0.000	0.001	7.223

<r²>	124.425
(<r²>)^1/2	11.155

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

using model chemistry: LSDA/6-31G

States and conformations

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