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	hartrees
Energy at 0K	-460.443001
Energy at 298.15K
HF Energy	-459.647447
Nuclear repulsion energy	177.079714

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.613
C2	0.000	1.624	-0.283
C3	1.406	-0.812	-0.283
C4	-1.406	-0.812	-0.283
H5	0.000	1.480	-1.369
H6	-0.885	2.199	0.001
H7	0.885	2.199	0.001
H8	1.282	-0.740	-1.369
H9	2.347	-0.333	0.001
H10	1.462	-1.866	0.001
H11	-1.282	-0.740	-1.369
H12	-1.462	-1.866	0.001
H13	-2.347	-0.333	0.001

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8551	1.8551	1.8551	2.4742	2.4480	2.4480	2.4742	2.4480	2.4480	2.4742	2.4480	2.4480
C2	1.8551		2.8127	2.8127	1.0951	1.0929	1.0929	2.9002	3.0691	3.7942	2.9002	3.7942	3.0691
C3	1.8551	2.8127		2.8127	2.9002	3.7942	3.0691	1.0951	1.0929	1.0929	2.9002	3.0691	3.7942
C4	1.8551	2.8127	2.8127		2.9002	3.0691	3.7942	2.9002	3.7942	3.0691	1.0951	1.0929	1.0929
H5	2.4742	1.0951	2.9002	2.9002		1.7824	1.7824	2.5639	3.2672	3.9001	2.5639	3.9001	3.2672
H6	2.4480	1.0929	3.7942	3.0691	1.7824		1.7692	3.9001	4.1055	4.6934	3.2672	4.1055	2.9243
H7	2.4480	1.0929	3.0691	3.7942	1.7824	1.7692		3.2672	2.9243	4.1055	3.9001	4.6934	4.1055
H8	2.4742	2.9002	1.0951	2.9002	2.5639	3.9001	3.2672		1.7824	1.7824	2.5639	3.2672	3.9001
H9	2.4480	3.0691	1.0929	3.7942	3.2672	4.1055	2.9243	1.7824		1.7692	3.9001	4.1055	4.6934
H10	2.4480	3.7942	1.0929	3.0691	3.9001	4.6934	4.1055	1.7824	1.7692		3.2672	2.9243	4.1055
H11	2.4742	2.9002	2.9002	1.0951	2.5639	3.2672	3.9001	2.5639	3.9001	3.2672		1.7824	1.7824
H12	2.4480	3.7942	3.0691	1.0929	3.9001	4.1055	4.6934	3.2672	4.1055	2.9243	1.7824		1.7692
H13	2.4480	3.0691	3.7942	1.0929	3.2672	2.9243	4.1055	3.9001	4.6934	4.1055	1.7824	1.7692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.373	P1	C2	H6	109.553
P1	C2	H7	109.553	P1	C3	H8	111.373
P1	C3	H9	109.553	P1	C3	H10	109.553
P1	C4	H11	111.373	P1	C4	H12	109.553
P1	C4	H13	109.553	C2	P1	C3	98.593
C2	P1	C4	98.593	C3	P1	C4	98.593
H5	C2	H6	109.108	H5	C2	H7	109.108
H6	C2	H7	108.081	H8	C3	H9	109.108
H8	C3	H10	109.108	H9	C3	H10	108.081
H11	C4	H12	109.108	H11	C4	H13	109.108
H12	C4	H13	108.081

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

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

States and conformations

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