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	hartrees
Energy at 0K	-460.442237
Energy at 298.15K
HF Energy	-459.647430
Nuclear repulsion energy	177.133137

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	1.478	-1.369
H6	-0.885	2.198	0.001
H7	0.885	2.198	0.001
H8	1.280	-0.739	-1.369
H9	2.346	-0.333	0.001
H10	1.462	-1.865	0.001
H11	-1.280	-0.739	-1.369
H12	-1.462	-1.865	0.001
H13	-2.346	-0.333	0.001

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8546	1.8546	1.8546	2.4734	2.4476	2.4476	2.4734	2.4476	2.4476	2.4734	2.4476	2.4476
C2	1.8546		2.8111	2.8111	1.0951	1.0928	1.0928	2.8978	3.0678	3.7927	2.8978	3.7927	3.0678
C3	1.8546	2.8111		2.8111	2.8978	3.7927	3.0678	1.0951	1.0928	1.0928	2.8978	3.0678	3.7927
C4	1.8546	2.8111	2.8111		2.8978	3.0678	3.7927	2.8978	3.7927	3.0678	1.0951	1.0928	1.0928
H5	2.4734	1.0951	2.8978	2.8978		1.7826	1.7826	2.5605	3.2653	3.8977	2.5605	3.8977	3.2653
H6	2.4476	1.0928	3.7927	3.0678	1.7826		1.7690	3.8977	4.1043	4.6922	3.2653	4.1043	2.9231
H7	2.4476	1.0928	3.0678	3.7927	1.7826	1.7690		3.2653	2.9231	4.1043	3.8977	4.6922	4.1043
H8	2.4734	2.8978	1.0951	2.8978	2.5605	3.8977	3.2653		1.7826	1.7826	2.5605	3.2653	3.8977
H9	2.4476	3.0678	1.0928	3.7927	3.2653	4.1043	2.9231	1.7826		1.7690	3.8977	4.1043	4.6922
H10	2.4476	3.7927	1.0928	3.0678	3.8977	4.6922	4.1043	1.7826	1.7690		3.2653	2.9231	4.1043
H11	2.4734	2.8978	2.8978	1.0951	2.5605	3.2653	3.8977	2.5605	3.8977	3.2653		1.7826	1.7826
H12	2.4476	3.7927	3.0678	1.0928	3.8977	4.1043	4.6922	3.2653	4.1043	2.9231	1.7826		1.7690
H13	2.4476	3.0678	3.7927	1.0928	3.2653	2.9231	4.1043	3.8977	4.6922	4.1043	1.7826	1.7690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.350	P1	C2	H6	109.561
P1	C2	H7	109.561	P1	C3	H8	111.350
P1	C3	H9	109.561	P1	C3	H10	109.561
P1	C4	H11	111.350	P1	C4	H12	109.561
P1	C4	H13	109.561	C2	P1	C3	98.554
C2	P1	C4	98.554	C3	P1	C4	98.554
H5	C2	H6	109.117	H5	C2	H7	109.117
H6	C2	H7	108.071	H8	C3	H9	109.117
H8	C3	H10	109.117	H9	C3	H10	108.071
H11	C4	H12	109.117	H11	C4	H13	109.117
H12	C4	H13	108.071

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

using model chemistry: MP4/aug-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: MP4/aug-cc-pVTZ

States and conformations

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