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	hartrees
Energy at 0K	-460.993137
Energy at 298.15K	-461.002570
HF Energy	-460.993137
Nuclear repulsion energy	173.812284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3022	3027	44.76
2	A₁	2938	2943	29.63
3	A₁	1417	1419	5.33
4	A₁	1272	1274	1.58
5	A₁	933	934	23.23
6	A₁	600	601	0.16
7	A₁	288	288	0.19
8	A₂	3034	3039	0.00
9	A₂	1391	1393	0.00
10	A₂	759	760	0.00
11	A₂	170	171	0.00
12	E	3034	3039	18.41
12	E	3034	3039	18.41
13	E	3022	3027	3.71
13	E	3022	3027	3.71
14	E	2939	2944	22.63
14	E	2939	2944	22.63
15	E	1407	1409	6.44
15	E	1407	1409	6.44
16	E	1396	1398	3.78
16	E	1396	1398	3.78
17	E	1244	1246	0.00
17	E	1244	1246	0.00
18	E	916	917	19.36
18	E	916	917	19.37
19	E	803	804	0.74
19	E	803	804	0.74
20	E	653	654	13.48
20	E	653	654	13.49
21	E	240	240	0.12
21	E	240	240	0.12
22	E	198	198	0.02
22	E	198	198	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.617
C2	0.000	1.659	-0.287
C3	1.437	-0.830	-0.287
C4	-1.437	-0.830	-0.287
H5	0.000	1.545	-1.392
H6	-0.896	2.240	0.014
H7	0.896	2.240	0.014
H8	1.338	-0.773	-1.392
H9	2.388	-0.344	0.014
H10	1.492	-1.896	0.014
H11	-1.338	-0.773	-1.392
H12	-1.492	-1.896	0.014
H13	-2.388	-0.344	0.014

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8891	1.8891	1.8891	2.5341	2.4865	2.4865	2.5341	2.4865	2.4865	2.5341	2.4865	2.4865
C2	1.8891		2.8735	2.8735	1.1111	1.1091	1.1091	2.9874	3.1313	3.8668	2.9874	3.8668	3.1313
C3	1.8891	2.8735		2.8735	2.9874	3.8668	3.1313	1.1111	1.1091	1.1091	2.9874	3.1313	3.8668
C4	1.8891	2.8735	2.8735		2.9874	3.1313	3.8668	2.9874	3.8668	3.1313	1.1111	1.1091	1.1091
H5	2.5341	1.1111	2.9874	2.9874		1.8060	1.8060	2.6761	3.3538	4.0051	2.6761	4.0051	3.3538
H6	2.4865	1.1091	3.8668	3.1313	1.8060		1.7912	4.0051	4.1783	4.7753	3.3538	4.1783	2.9841
H7	2.4865	1.1091	3.1313	3.8668	1.8060	1.7912		3.3538	2.9841	4.1783	4.0051	4.7753	4.1783
H8	2.5341	2.9874	1.1111	2.9874	2.6761	4.0051	3.3538		1.8060	1.8060	2.6761	3.3538	4.0051
H9	2.4865	3.1313	1.1091	3.8668	3.3538	4.1783	2.9841	1.8060		1.7912	4.0051	4.1783	4.7753
H10	2.4865	3.8668	1.1091	3.1313	4.0051	4.7753	4.1783	1.8060	1.7912		3.3538	2.9841	4.1783
H11	2.5341	2.9874	2.9874	1.1111	2.6761	3.3538	4.0051	2.6761	4.0051	3.3538		1.8060	1.8060
H12	2.4865	3.8668	3.1313	1.1091	4.0051	4.1783	4.7753	3.3538	4.1783	2.9841	1.8060		1.7912
H13	2.4865	3.1313	3.8668	1.1091	3.3538	2.9841	4.1783	4.0051	4.7753	4.1783	1.8060	1.7912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.682	P1	C2	H6	109.287
P1	C2	H7	109.287	P1	C3	H8	112.682
P1	C3	H9	109.287	P1	C3	H10	109.287
P1	C4	H11	112.682	P1	C4	H12	109.287
P1	C4	H13	109.287	C2	P1	C3	99.029
C2	P1	C4	99.029	C3	P1	C4	99.029
H5	C2	H6	108.876	H5	C2	H7	108.876
H6	C2	H7	107.707	H8	C3	H9	108.876
H8	C3	H10	108.876	H9	C3	H10	107.707
H11	C4	H12	108.876	H11	C4	H13	108.876
H12	C4	H13	107.707

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

using model chemistry: BLYP/cc-pVDZ

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	0.117
2	C	-0.111
3	C	-0.111
4	C	-0.111
5	H	0.019
6	H	0.026
7	H	0.026
8	H	0.019
9	H	0.026
10	H	0.026
11	H	0.019
12	H	0.026
13	H	0.026

<r²>	126.567
(<r²>)^1/2	11.250

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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