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	hartrees
Energy at 0K	-461.187258
Energy at 298.15K	-461.196896
HF Energy	-461.187258
Nuclear repulsion energy	176.708717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3091	2993	45.85
2	A₁	3012	2916	32.90
3	A₁	1494	1446	7.40
4	A₁	1339	1297	3.37
5	A₁	972	941	23.25
6	A₁	643	623	0.24
7	A₁	283	274	0.27
8	A₂	3103	3005	0.00
9	A₂	1468	1422	0.00
10	A₂	784	759	0.00
11	A₂	184	178	0.00
12	E	3104	3005	18.12
12	E	3104	3005	18.14
13	E	3091	2993	3.62
13	E	3091	2993	3.62
14	E	3014	2918	20.36
14	E	3014	2918	20.37
15	E	1484	1437	7.44
15	E	1484	1437	7.44
16	E	1473	1426	3.88
16	E	1473	1426	3.89
17	E	1314	1272	0.99
17	E	1314	1272	1.00
18	E	959	928	20.20
18	E	959	928	20.19
19	E	833	806	0.32
19	E	833	806	0.32
20	E	699	677	12.78
20	E	699	677	12.79
21	E	243	235	0.13
21	E	243	235	0.13
22	E	203	197	0.01
22	E	203	197	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.602
C2	0.000	1.634	-0.279
C3	1.415	-0.817	-0.279
C4	-1.415	-0.817	-0.279
H5	0.000	1.519	-1.367
H6	-0.882	2.206	0.016
H7	0.882	2.206	0.016
H8	1.315	-0.759	-1.367
H9	2.351	-0.339	0.016
H10	1.469	-1.867	0.016
H11	-1.315	-0.759	-1.367
H12	-1.469	-1.867	0.016
H13	-2.351	-0.339	0.016

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8567	1.8567	1.8567	2.4873	2.4469	2.4469	2.4873	2.4469	2.4469	2.4873	2.4469	2.4469
C2	1.8567		2.8299	2.8299	1.0939	1.0919	1.0919	2.9395	3.0834	3.8078	2.9395	3.8078	3.0834
C3	1.8567	2.8299		2.8299	2.9395	3.8078	3.0834	1.0939	1.0919	1.0919	2.9395	3.0834	3.8078
C4	1.8567	2.8299	2.8299		2.9395	3.0834	3.8078	2.9395	3.8078	3.0834	1.0939	1.0919	1.0919
H5	2.4873	1.0939	2.9395	2.9395		1.7786	1.7786	2.6306	3.3005	3.9412	2.6306	3.9412	3.3005
H6	2.4469	1.0919	3.8078	3.0834	1.7786		1.7640	3.9412	4.1145	4.7024	3.3005	4.1145	2.9384
H7	2.4469	1.0919	3.0834	3.8078	1.7786	1.7640		3.3005	2.9384	4.1145	3.9412	4.7024	4.1145
H8	2.4873	2.9395	1.0939	2.9395	2.6306	3.9412	3.3005		1.7786	1.7786	2.6306	3.3005	3.9412
H9	2.4469	3.0834	1.0919	3.8078	3.3005	4.1145	2.9384	1.7786		1.7640	3.9412	4.1145	4.7024
H10	2.4469	3.8078	1.0919	3.0834	3.9412	4.7024	4.1145	1.7786	1.7640		3.3005	2.9384	4.1145
H11	2.4873	2.9395	2.9395	1.0939	2.6306	3.3005	3.9412	2.6306	3.9412	3.3005		1.7786	1.7786
H12	2.4469	3.8078	3.0834	1.0919	3.9412	4.1145	4.7024	3.3005	4.1145	2.9384	1.7786		1.7640
H13	2.4469	3.0834	3.8078	1.0919	3.3005	2.9384	4.1145	3.9412	4.7024	4.1145	1.7786	1.7640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.323	P1	C2	H6	109.412
P1	C2	H7	109.412	P1	C3	H8	112.323
P1	C3	H9	109.412	P1	C3	H10	109.412
P1	C4	H11	112.323	P1	C4	H12	109.412
P1	C4	H13	109.412	C2	P1	C3	99.295
C2	P1	C4	99.295	C3	P1	C4	99.295
H5	C2	H6	108.915	H5	C2	H7	108.915
H6	C2	H7	107.755	H8	C3	H9	108.915
H8	C3	H10	108.915	H9	C3	H10	107.755
H11	C4	H12	108.915	H11	C4	H13	108.915
H12	C4	H13	107.755

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

using model chemistry: TPSSh/cc-pVTZ

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	0.126
2	C	-0.268
3	C	-0.268
4	C	-0.268
5	H	0.068
6	H	0.079
7	H	0.079
8	H	0.068
9	H	0.079
10	H	0.079
11	H	0.068
12	H	0.079
13	H	0.079

<r²>	123.126
(<r²>)^1/2	11.096

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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