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	hartrees
Energy at 0K	-460.410844
Energy at 298.15K
HF Energy	-459.647856
Nuclear repulsion energy	177.354949

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.607
C2	0.000	1.624	-0.281
C3	1.406	-0.812	-0.281
C4	-1.406	-0.812	-0.281
H5	0.000	1.490	-1.365
H6	-0.882	2.197	0.007
H7	0.882	2.197	0.007
H8	1.291	-0.745	-1.365
H9	2.344	-0.334	0.007
H10	1.462	-1.863	0.007
H11	-1.291	-0.745	-1.365
H12	-1.462	-1.863	0.007
H13	-2.344	-0.334	0.007

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8507	1.8507	1.8507	2.4720	2.4427	2.4427	2.4720	2.4427	2.4427	2.4720	2.4427	2.4427
C2	1.8507		2.8128	2.8128	1.0928	1.0909	1.0909	2.9078	3.0680	3.7917	2.9078	3.7917	3.0680
C3	1.8507	2.8128		2.8128	2.9078	3.7917	3.0680	1.0928	1.0909	1.0909	2.9078	3.0680	3.7917
C4	1.8507	2.8128	2.8128		2.9078	3.0680	3.7917	2.9078	3.7917	3.0680	1.0928	1.0909	1.0909
H5	2.4720	1.0928	2.9078	2.9078		1.7779	1.7779	2.5815	3.2722	3.9069	2.5815	3.9069	3.2722
H6	2.4427	1.0909	3.7917	3.0680	1.7779		1.7650	3.9069	4.1012	4.6882	3.2722	4.1012	2.9233
H7	2.4427	1.0909	3.0680	3.7917	1.7779	1.7650		3.2722	2.9233	4.1012	3.9069	4.6882	4.1012
H8	2.4720	2.9078	1.0928	2.9078	2.5815	3.9069	3.2722		1.7779	1.7779	2.5815	3.2722	3.9069
H9	2.4427	3.0680	1.0909	3.7917	3.2722	4.1012	2.9233	1.7779		1.7650	3.9069	4.1012	4.6882
H10	2.4427	3.7917	1.0909	3.0680	3.9069	4.6882	4.1012	1.7779	1.7650		3.2722	2.9233	4.1012
H11	2.4720	2.9078	2.9078	1.0928	2.5815	3.2722	3.9069	2.5815	3.9069	3.2722		1.7779	1.7779
H12	2.4427	3.7917	3.0680	1.0909	3.9069	4.1012	4.6882	3.2722	4.1012	2.9233	1.7779		1.7650
H13	2.4427	3.0680	3.7917	1.0909	3.2722	2.9233	4.1012	3.9069	4.6882	4.1012	1.7779	1.7650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.637	P1	C2	H6	109.557
P1	C2	H7	109.557	P1	C3	H8	111.637
P1	C3	H9	109.557	P1	C3	H10	109.557
P1	C4	H11	111.637	P1	C4	H12	109.557
P1	C4	H13	109.557	C2	P1	C3	98.918
C2	P1	C4	98.918	C3	P1	C4	98.917
H5	C2	H6	109.014	H5	C2	H7	109.014
H6	C2	H7	107.985	H8	C3	H9	109.014
H8	C3	H10	109.014	H9	C3	H10	107.985
H11	C4	H12	109.014	H11	C4	H13	109.014
H12	C4	H13	107.985

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

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

States and conformations

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