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	hartrees
Energy at 0K	-460.428641
Energy at 298.15K
HF Energy	-459.646348
Nuclear repulsion energy	177.132537

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.614
C2	0.000	1.623	-0.284
C3	1.406	-0.811	-0.284
C4	-1.406	-0.811	-0.284
H5	0.000	1.483	-1.369
H6	-0.883	2.200	0.000
H7	0.883	2.200	0.000
H8	1.284	-0.742	-1.369
H9	2.346	-0.335	0.000
H10	1.463	-1.864	0.000
H11	-1.284	-0.742	-1.369
H12	-1.463	-1.864	0.000
H13	-2.346	-0.335	0.000

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8546	1.8546	1.8546	2.4758	2.4483	2.4483	2.4758	2.4483	2.4483	2.4758	2.4483	2.4483
C2	1.8546		2.8111	2.8111	1.0940	1.0920	1.0920	2.9014	3.0692	3.7926	2.9014	3.7926	3.0692
C3	1.8546	2.8111		2.8111	2.9014	3.7926	3.0692	1.0940	1.0920	1.0920	2.9014	3.0692	3.7926
C4	1.8546	2.8111	2.8111		2.9014	3.0692	3.7926	2.9014	3.7926	3.0692	1.0940	1.0920	1.0920
H5	2.4758	1.0940	2.9014	2.9014		1.7793	1.7793	2.5688	3.2687	3.9013	2.5688	3.9013	3.2687
H6	2.4483	1.0920	3.7926	3.0692	1.7793		1.7659	3.9013	4.1051	4.6926	3.2687	4.1051	2.9267
H7	2.4483	1.0920	3.0692	3.7926	1.7793	1.7659		3.2687	2.9267	4.1051	3.9013	4.6926	4.1051
H8	2.4758	2.9014	1.0940	2.9014	2.5688	3.9013	3.2687		1.7793	1.7793	2.5688	3.2687	3.9013
H9	2.4483	3.0692	1.0920	3.7926	3.2687	4.1051	2.9267	1.7793		1.7659	3.9013	4.1051	4.6926
H10	2.4483	3.7926	1.0920	3.0692	3.9013	4.6926	4.1051	1.7793	1.7659		3.2687	2.9267	4.1051
H11	2.4758	2.9014	2.9014	1.0940	2.5688	3.2687	3.9013	2.5688	3.9013	3.2687		1.7793	1.7793
H12	2.4483	3.7926	3.0692	1.0920	3.9013	4.1051	4.6926	3.2687	4.1051	2.9267	1.7793		1.7659
H13	2.4483	3.0692	3.7926	1.0920	3.2687	2.9267	4.1051	3.9013	4.6926	4.1051	1.7793	1.7659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.593	P1	C2	H6	109.654
P1	C2	H7	109.654	P1	C3	H8	111.593
P1	C3	H9	109.654	P1	C3	H10	109.654
P1	C4	H11	111.593	P1	C4	H12	109.654
P1	C4	H13	109.654	C2	P1	C3	98.556
C2	P1	C4	98.556	C3	P1	C4	98.556
H5	C2	H6	108.973	H5	C2	H7	108.973
H6	C2	H7	107.913	H8	C3	H9	108.973
H8	C3	H10	108.973	H9	C3	H10	107.913
H11	C4	H12	108.973	H11	C4	H13	108.973
H12	C4	H13	107.913

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

using model chemistry: CCSD(T)/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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All results from a given calculation for P(CH3)3 (trimethylphosphine)

using model chemistry: CCSD(T)/cc-pVTZ

States and conformations

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