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	hartrees
Energy at 0K	-460.760740
Energy at 298.15K	-460.770368
HF Energy	-460.760740
Nuclear repulsion energy	173.970317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3174	3036	36.50
2	A₁	3068	2935	27.31
3	A₁	1531	1464	17.66
4	A₁	1393	1332	5.30
5	A₁	1024	980	56.19
6	A₁	630	603	0.15
7	A₁	285	272	0.12
8	A₂	3190	3052	0.00
9	A₂	1502	1437	0.00
10	A₂	850	813	0.00
11	A₂	164	157	0.00
12	E	3191	3052	12.92
12	E	3191	3052	12.93
13	E	3174	3036	4.10
13	E	3174	3036	4.10
14	E	3070	2937	19.58
14	E	3070	2937	19.59
15	E	1520	1454	17.59
15	E	1520	1454	17.60
16	E	1511	1446	7.22
16	E	1511	1446	7.22
17	E	1364	1305	9.91
17	E	1364	1305	9.91
18	E	1008	964	25.52
18	E	1008	964	25.52
19	E	890	851	0.53
19	E	890	851	0.53
20	E	696	666	7.25
20	E	696	666	7.25
21	E	244	233	0.05
21	E	244	233	0.05
22	E	191	183	0.05
22	E	191	183	0.05

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.625
C2	0.000	1.663	-0.291
C3	1.440	-0.831	-0.291
C4	-1.440	-0.831	-0.291
H5	0.000	1.527	-1.378
H6	-0.887	2.233	0.001
H7	0.887	2.233	0.001
H8	1.322	-0.763	-1.378
H9	2.377	-0.349	0.001
H10	1.490	-1.884	0.001
H11	-1.322	-0.763	-1.378
H12	-1.490	-1.884	0.001
H13	-2.377	-0.349	0.001

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8984	1.8984	1.8984	2.5182	2.4820	2.4820	2.5182	2.4820	2.4820	2.5182	2.4820	2.4820
C2	1.8984		2.8803	2.8803	1.0956	1.0934	1.0934	2.9692	3.1274	3.8584	2.9692	3.8584	3.1274
C3	1.8984	2.8803		2.8803	2.9692	3.8584	3.1274	1.0956	1.0934	1.0934	2.9692	3.1274	3.8584
C4	1.8984	2.8803	2.8803		2.9692	3.1274	3.8584	2.9692	3.8584	3.1274	1.0956	1.0934	1.0934
H5	2.5182	1.0956	2.9692	2.9692		1.7848	1.7848	2.6440	3.3266	3.9692	2.6440	3.9692	3.3266
H6	2.4820	1.0934	3.8584	3.1274	1.7848		1.7730	3.9692	4.1609	4.7537	3.3266	4.1609	2.9807
H7	2.4820	1.0934	3.1274	3.8584	1.7848	1.7730		3.3266	2.9807	4.1609	3.9692	4.7537	4.1609
H8	2.5182	2.9692	1.0956	2.9692	2.6440	3.9692	3.3266		1.7848	1.7848	2.6440	3.3266	3.9692
H9	2.4820	3.1274	1.0934	3.8584	3.3266	4.1609	2.9807	1.7848		1.7730	3.9692	4.1609	4.7537
H10	2.4820	3.8584	1.0934	3.1274	3.9692	4.7537	4.1609	1.7848	1.7730		3.3266	2.9807	4.1609
H11	2.5182	2.9692	2.9692	1.0956	2.6440	3.3266	3.9692	2.6440	3.9692	3.3266		1.7848	1.7848
H12	2.4820	3.8584	3.1274	1.0934	3.9692	4.1609	4.7537	3.3266	4.1609	2.9807	1.7848		1.7730
H13	2.4820	3.1274	3.8584	1.0934	3.3266	2.9807	4.1609	3.9692	4.7537	4.1609	1.7848	1.7730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.688	P1	C2	H6	109.137
P1	C2	H7	109.137	P1	C3	H8	111.688
P1	C3	H9	109.137	P1	C3	H10	109.137
P1	C4	H11	111.688	P1	C4	H12	109.137
P1	C4	H13	109.137	C2	P1	C3	98.685
C2	P1	C4	98.685	C3	P1	C4	98.685
H5	C2	H6	109.237	H5	C2	H7	109.237
H6	C2	H7	108.341	H8	C3	H9	109.237
H8	C3	H10	109.237	H9	C3	H10	108.341
H11	C4	H12	109.237	H11	C4	H13	109.237
H12	C4	H13	108.341

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

using model chemistry: HSEh1PBE/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	0.569
2	C	-0.745
3	C	-0.745
4	C	-0.745
5	H	0.177
6	H	0.189
7	H	0.189
8	H	0.177
9	H	0.189
10	H	0.189
11	H	0.177
12	H	0.189
13	H	0.189

	x	y	z
x	8.586	0.000	0.000
y	0.000	8.587	-0.000
z	0.000	-0.000	6.981

<r²>	126.225
(<r²>)^1/2	11.235

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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