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	hartrees
Energy at 0K	-460.394447
Energy at 298.15K
HF Energy	-459.646748
Nuclear repulsion energy	177.417017

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.607
C2	0.000	1.623	-0.280
C3	1.406	-0.812	-0.280
C4	-1.406	-0.812	-0.280
H5	0.000	1.495	-1.364
H6	-0.880	2.198	0.007
H7	0.880	2.198	0.007
H8	1.295	-0.747	-1.364
H9	2.344	-0.336	0.007
H10	1.463	-1.861	0.007
H11	-1.295	-0.747	-1.364
H12	-1.463	-1.861	0.007
H13	-2.344	-0.336	0.007

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8499	1.8499	1.8499	2.4737	2.4423	2.4423	2.4737	2.4423	2.4423	2.4737	2.4423	2.4423
C2	1.8499		2.8118	2.8118	1.0915	1.0898	1.0898	2.9107	3.0685	3.7903	2.9107	3.7903	3.0685
C3	1.8499	2.8118		2.8118	2.9107	3.7903	3.0685	1.0915	1.0898	1.0898	2.9107	3.0685	3.7903
C4	1.8499	2.8118	2.8118		2.9107	3.0685	3.7903	2.9107	3.7903	3.0685	1.0915	1.0898	1.0898
H5	2.4737	1.0915	2.9107	2.9107		1.7746	1.7746	2.5894	3.2752	3.9098	2.5894	3.9098	3.2752
H6	2.4423	1.0898	3.7903	3.0685	1.7746		1.7608	3.9098	4.1008	4.6871	3.2752	4.1008	2.9263
H7	2.4423	1.0898	3.0685	3.7903	1.7746	1.7608		3.2752	2.9263	4.1008	3.9098	4.6871	4.1008
H8	2.4737	2.9107	1.0915	2.9107	2.5894	3.9098	3.2752		1.7746	1.7746	2.5894	3.2752	3.9098
H9	2.4423	3.0685	1.0898	3.7903	3.2752	4.1008	2.9263	1.7746		1.7608	3.9098	4.1008	4.6871
H10	2.4423	3.7903	1.0898	3.0685	3.9098	4.6871	4.1008	1.7746	1.7608		3.2752	2.9263	4.1008
H11	2.4737	2.9107	2.9107	1.0915	2.5894	3.2752	3.9098	2.5894	3.9098	3.2752		1.7746	1.7746
H12	2.4423	3.7903	3.0685	1.0898	3.9098	4.1008	4.6871	3.2752	4.1008	2.9263	1.7746		1.7608
H13	2.4423	3.0685	3.7903	1.0898	3.2752	2.9263	4.1008	3.9098	4.6871	4.1008	1.7746	1.7608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.896	P1	C2	H6	109.643
P1	C2	H7	109.643	P1	C3	H8	111.896
P1	C3	H9	109.643	P1	C3	H10	109.643
P1	C4	H11	111.896	P1	C4	H12	109.643
P1	C4	H13	109.643	C2	P1	C3	98.927
C2	P1	C4	98.927	C3	P1	C4	98.927
H5	C2	H6	108.893	H5	C2	H7	108.893
H6	C2	H7	107.777	H8	C3	H9	108.893
H8	C3	H10	108.893	H9	C3	H10	107.777
H11	C4	H12	108.893	H11	C4	H13	108.893
H12	C4	H13	107.777

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

using model chemistry: CCD/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: CCD/cc-pVTZ

States and conformations

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