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	hartrees
Energy at 0K	-2353.934345
Energy at 298.15K
Nuclear repulsion energy	291.946001

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.469
C2	0.000	1.693	-0.513
C3	1.466	-0.846	-0.513
C4	-1.466	-0.846	-0.513
H5	0.000	1.520	-1.589
H6	1.317	-0.760	-1.589
H7	-1.317	-0.760	-1.589
H8	-0.882	2.271	-0.244
H9	2.408	-0.372	-0.244
H10	-1.526	-1.900	-0.244
H11	0.882	2.271	-0.244
H12	1.526	-1.900	-0.244
H13	-2.408	-0.372	-0.244

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		1.9573	1.9573	1.9573	2.5588	2.5588	2.5588	2.5385	2.5385	2.5385	2.5385	2.5385	2.5385
C2	1.9573		2.9323	2.9323	1.0898	2.9847	2.9847	1.0888	3.1833	3.9125	1.0888	3.9125	3.1833
C3	1.9573	2.9323		2.9323	2.9847	1.0898	2.9847	3.9125	1.0888	3.1833	3.1833	1.0888	3.9125
C4	1.9573	2.9323	2.9323		2.9847	2.9847	1.0898	3.1833	3.9125	1.0888	3.9125	3.1833	1.0888
H5	2.5588	1.0898	2.9847	2.9847		2.6331	2.6331	1.7759	3.3449	3.9793	1.7759	3.9793	3.3449
H6	2.5588	2.9847	1.0898	2.9847	2.6331		2.6331	3.9793	1.7759	3.3449	3.3449	1.7759	3.9793
H7	2.5588	2.9847	2.9847	1.0898	2.6331	2.6331		3.3449	3.9793	1.7759	3.9793	3.3449	1.7759
H8	2.5385	1.0888	3.9125	3.1833	1.7759	3.9793	3.3449		4.2201	4.2201	1.7645	4.8160	3.0515
H9	2.5385	3.1833	1.0888	3.9125	3.3449	1.7759	3.9793	4.2201		4.2201	3.0515	1.7645	4.8160
H10	2.5385	3.9125	3.1833	1.0888	3.9793	3.3449	1.7759	4.2201	4.2201		4.8160	3.0515	1.7645
H11	2.5385	1.0888	3.1833	3.9125	1.7759	3.3449	3.9793	1.7645	3.0515	4.8160		4.2201	4.2201
H12	2.5385	3.9125	1.0888	3.1833	3.9793	1.7759	3.3449	4.8160	1.7645	3.0515	4.2201		4.2201
H13	2.5385	3.1833	3.9125	1.0888	3.3449	3.9793	1.7759	3.0515	4.8160	1.7645	4.2201	4.2201

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	111.004	As1	C2	H8	109.565
As1	C2	H11	109.565	As1	C3	H6	111.004
As1	C3	H9	109.565	As1	C3	H12	109.565
As1	C4	H7	111.004	As1	C4	H10	109.565
As1	C4	H13	109.565	C2	As1	C3	97.018
C2	As1	C4	97.018	C3	As1	C4	97.018
H5	C2	H8	109.206	H5	C2	H11	109.206
H6	C3	H9	109.206	H6	C3	H12	109.206
H7	C4	H10	109.206	H7	C4	H13	109.206
H8	C2	H11	108.246	H9	C3	H12	108.246
H10	C4	H13	108.246

All results from a given calculation for As(CH₃)₃ (trimethyl arsine)

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 As(CH3)3 (trimethyl arsine)

using model chemistry: CCD/cc-pVTZ

States and conformations

All results from a given calculation for As(CH₃)₃ (trimethyl arsine)