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	hartrees
Energy at 0K	-460.523392
Energy at 298.15K
HF Energy	-459.646560
Nuclear repulsion energy	177.905163

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.614
C2	0.000	1.614	-0.283
C3	1.398	-0.807	-0.283
C4	-1.398	-0.807	-0.283
H5	0.000	1.469	-1.364
H6	-0.880	2.190	-0.002
H7	0.880	2.190	-0.002
H8	1.272	-0.735	-1.364
H9	2.336	-0.333	-0.002
H10	1.456	-1.857	-0.002
H11	-1.272	-0.735	-1.364
H12	-1.456	-1.857	-0.002
H13	-2.336	-0.333	-0.002

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8470	1.8470	1.8470	2.4636	2.4388	2.4388	2.4636	2.4388	2.4388	2.4636	2.4388	2.4388
C2	1.8470		2.7963	2.7963	1.0901	1.0880	1.0880	2.8818	3.0543	3.7748	2.8818	3.7748	3.0543
C3	1.8470	2.7963		2.7963	2.8818	3.7748	3.0543	1.0901	1.0880	1.0880	2.8818	3.0543	3.7748
C4	1.8470	2.7963	2.7963		2.8818	3.0543	3.7748	2.8818	3.7748	3.0543	1.0901	1.0880	1.0880
H5	2.4636	1.0901	2.8818	2.8818		1.7737	1.7737	2.5449	3.2494	3.8777	2.5449	3.8777	3.2494
H6	2.4388	1.0880	3.7748	3.0543	1.7737		1.7595	3.8777	4.0872	4.6722	3.2494	4.0872	2.9128
H7	2.4388	1.0880	3.0543	3.7748	1.7737	1.7595		3.2494	2.9128	4.0872	3.8777	4.6722	4.0872
H8	2.4636	2.8818	1.0901	2.8818	2.5449	3.8777	3.2494		1.7737	1.7737	2.5449	3.2494	3.8777
H9	2.4388	3.0543	1.0880	3.7748	3.2494	4.0872	2.9128	1.7737		1.7595	3.8777	4.0872	4.6722
H10	2.4388	3.7748	1.0880	3.0543	3.8777	4.6722	4.0872	1.7737	1.7595		3.2494	2.9128	4.0872
H11	2.4636	2.8818	2.8818	1.0901	2.5449	3.2494	3.8777	2.5449	3.8777	3.2494		1.7737	1.7737
H12	2.4388	3.7748	3.0543	1.0880	3.8777	4.0872	4.6722	3.2494	4.0872	2.9128	1.7737		1.7595
H13	2.4388	3.0543	3.7748	1.0880	3.2494	2.9128	4.0872	3.8777	4.6722	4.0872	1.7737	1.7595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.407	P1	C2	H6	109.674
P1	C2	H7	109.674	P1	C3	H8	111.407
P1	C3	H9	109.674	P1	C3	H10	109.674
P1	C4	H11	111.407	P1	C4	H12	109.674
P1	C4	H13	109.674	C2	P1	C3	98.402
C2	P1	C4	98.402	C3	P1	C4	98.402
H5	C2	H6	109.046	H5	C2	H7	109.046
H6	C2	H7	107.922	H8	C3	H9	109.046
H8	C3	H10	109.046	H9	C3	H10	107.922
H11	C4	H12	109.046	H11	C4	H13	109.046
H12	C4	H13	107.922

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

using model chemistry: MP4=FULL/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=FULL/cc-pVTZ

States and conformations

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