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	hartrees
Energy at 0K	-460.429042
Energy at 298.15K
HF Energy	-459.646336
Nuclear repulsion energy	177.121274

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.614
C2	0.000	1.623	-0.284
C3	1.406	-0.812	-0.284
C4	-1.406	-0.812	-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	-0.741	-1.369
H9	2.346	-0.335	-0.000
H10	1.463	-1.865	-0.000
H11	-1.284	-0.741	-1.369
H12	-1.463	-1.865	-0.000
H13	-2.346	-0.335	-0.000

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8547	1.8547	1.8547	2.4759	2.4485	2.4485	2.4759	2.4485	2.4485	2.4759	2.4485	2.4485
C2	1.8547		2.8112	2.8112	1.0941	1.0920	1.0920	2.9013	3.0693	3.7928	2.9013	3.7928	3.0693
C3	1.8547	2.8112		2.8112	2.9013	3.7928	3.0693	1.0941	1.0920	1.0920	2.9013	3.0693	3.7928
C4	1.8547	2.8112	2.8112		2.9013	3.0693	3.7928	2.9013	3.7928	3.0693	1.0941	1.0920	1.0920
H5	2.4759	1.0941	2.9013	2.9013		1.7794	1.7794	2.5686	3.2687	3.9013	2.5686	3.9013	3.2687
H6	2.4485	1.0920	3.7928	3.0693	1.7794		1.7660	3.9013	4.1054	4.6929	3.2687	4.1054	2.9268
H7	2.4485	1.0920	3.0693	3.7928	1.7794	1.7660		3.2687	2.9268	4.1054	3.9013	4.6929	4.1054
H8	2.4759	2.9013	1.0941	2.9013	2.5686	3.9013	3.2687		1.7794	1.7794	2.5686	3.2687	3.9013
H9	2.4485	3.0693	1.0920	3.7928	3.2687	4.1054	2.9268	1.7794		1.7660	3.9013	4.1054	4.6929
H10	2.4485	3.7928	1.0920	3.0693	3.9013	4.6929	4.1054	1.7794	1.7660		3.2687	2.9268	4.1054
H11	2.4759	2.9013	2.9013	1.0941	2.5686	3.2687	3.9013	2.5686	3.9013	3.2687		1.7794	1.7794
H12	2.4485	3.7928	3.0693	1.0920	3.9013	4.1054	4.6929	3.2687	4.1054	2.9268	1.7794		1.7660
H13	2.4485	3.0693	3.7928	1.0920	3.2687	2.9268	4.1054	3.9013	4.6929	4.1054	1.7794	1.7660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.588	P1	C2	H6	109.655
P1	C2	H7	109.655	P1	C3	H8	111.587
P1	C3	H9	109.655	P1	C3	H10	109.655
P1	C4	H11	111.587	P1	C4	H12	109.655
P1	C4	H13	109.655	C2	P1	C3	98.550
C2	P1	C4	98.550	C3	P1	C4	98.550
H5	C2	H6	108.974	H5	C2	H7	108.974
H6	C2	H7	107.916	H8	C3	H9	108.974
H8	C3	H10	108.974	H9	C3	H10	107.916
H11	C4	H12	108.974	H11	C4	H13	108.974
H12	C4	H13	107.916

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

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

States and conformations

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