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	hartrees
Energy at 0K	-454.403290
Energy at 298.15K	-454.413339
HF Energy	-454.403290
Nuclear repulsion energy	178.343050

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3743	3056	5.96
2	A₁	3558	2905	0.82
3	A₁	1850	1510	3.25
4	A₁	1714	1400	0.90
5	A₁	1208	986	29.19
6	A₁	839	685	0.06
7	A₁	368	300	2.21
8	A₂	3748	3061	0.00
9	A₂	1844	1506	0.00
10	A₂	1028	839	0.00
11	A₂	181	147	0.00
12	E	3750	3062	1.06
12	E	3750	3062	1.06
13	E	3742	3056	0.59
13	E	3742	3056	0.59
14	E	3559	2906	0.78
14	E	3559	2906	0.78
15	E	1849	1510	2.13
15	E	1849	1510	2.13
16	E	1844	1506	2.59
16	E	1844	1506	2.59
17	E	1692	1381	1.99
17	E	1692	1381	1.99
18	E	1180	964	25.51
18	E	1180	964	25.51
19	E	1071	875	0.45
19	E	1071	875	0.45
20	E	908	741	7.75
20	E	908	741	7.75
21	E	312	255	0.79
21	E	312	255	0.79
22	E	205	168	0.01
22	E	205	168	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.614
C2	0.000	1.608	-0.282
C3	1.393	-0.804	-0.282
C4	-1.393	-0.804	-0.282
H5	0.000	1.492	-1.360
H6	-0.874	2.188	-0.009
H7	0.874	2.188	-0.009
H8	1.292	-0.746	-1.360
H9	2.332	-0.337	-0.009
H10	1.458	-1.851	-0.009
H11	-1.292	-0.746	-1.360
H12	-1.458	-1.851	-0.009
H13	-2.332	-0.337	-0.009

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8408	1.8408	1.8408	2.4737	2.4373	2.4373	2.4737	2.4373	2.4373	2.4737	2.4373	2.4373
C2	1.8408		2.7860	2.7860	1.0843	1.0835	1.0835	2.8940	3.0494	3.7641	2.8940	3.7641	3.0494
C3	1.8408	2.7860		2.7860	2.8940	3.7641	3.0494	1.0843	1.0835	1.0835	2.8940	3.0494	3.7641
C4	1.8408	2.7860	2.7860		2.8940	3.0494	3.7641	2.8940	3.7641	3.0494	1.0843	1.0835	1.0835
H5	2.4737	1.0843	2.8940	2.8940		1.7527	1.7527	2.5841	3.2570	3.8890	2.5841	3.8890	3.2570
H6	2.4373	1.0835	3.7641	3.0494	1.7527		1.7478	3.8890	4.0813	4.6641	3.2570	4.0813	2.9163
H7	2.4373	1.0835	3.0494	3.7641	1.7527	1.7478		3.2570	2.9163	4.0813	3.8890	4.6641	4.0813
H8	2.4737	2.8940	1.0843	2.8940	2.5841	3.8890	3.2570		1.7527	1.7527	2.5841	3.2570	3.8890
H9	2.4373	3.0494	1.0835	3.7641	3.2570	4.0813	2.9163	1.7527		1.7478	3.8890	4.0813	4.6641
H10	2.4373	3.7641	1.0835	3.0494	3.8890	4.6641	4.0813	1.7527	1.7478		3.2570	2.9163	4.0813
H11	2.4737	2.8940	2.8940	1.0843	2.5841	3.2570	3.8890	2.5841	3.8890	3.2570		1.7527	1.7527
H12	2.4373	3.7641	3.0494	1.0835	3.8890	4.0813	4.6641	3.2570	4.0813	2.9163	1.7527		1.7478
H13	2.4373	3.0494	3.7641	1.0835	3.2570	2.9163	4.0813	3.8890	4.6641	4.0813	1.7527	1.7478

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.927	P1	C2	H6	110.202
P1	C2	H7	110.202	P1	C3	H8	112.927
P1	C3	H9	110.202	P1	C3	H10	110.202
P1	C4	H11	112.927	P1	C4	H12	110.202
P1	C4	H13	110.202	C2	P1	C3	98.353
C2	P1	C4	98.353	C3	P1	C4	98.353
H5	C2	H6	107.904	H5	C2	H7	107.904
H6	C2	H7	107.515	H8	C3	H9	107.904
H8	C3	H10	107.904	H9	C3	H10	107.515
H11	C4	H12	107.904	H11	C4	H13	107.904
H12	C4	H13	107.515

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

using model chemistry: HF/STO-3G

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	0.522
2	C	-0.338
3	C	-0.338
4	C	-0.338
5	H	0.053
6	H	0.056
7	H	0.056
8	H	0.053
9	H	0.056
10	H	0.056
11	H	0.053
12	H	0.056
13	H	0.056

<r²>	119.637
(<r²>)^1/2	10.938

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

using model chemistry: HF/STO-3G

States and conformations

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