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	hartrees
Energy at 0K	-2355.755844
Energy at 298.15K	-2355.762853
Nuclear repulsion energy	288.448789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3113	3012	32.72
2	A₁	3031	2933	19.62
3	A₁	1481	1433	8.18
4	A₁	1299	1257	3.30
5	A₁	905	876	25.48
6	A₁	556	538	2.75
7	A₁	234	226	1.16
8	A₂	3118	3016	0.00
9	A₂	1458	1411	0.00
10	A₂	765	740	0.00
11	A₂	147	142	0.00
12	E	3118	3017	14.32
12	E	3118	3017	14.32
13	E	3114	3013	2.90
13	E	3114	3013	2.91
14	E	3033	2935	19.95
14	E	3033	2935	19.95
15	E	1472	1424	8.60
15	E	1472	1424	8.59
16	E	1464	1416	3.08
16	E	1464	1416	3.08
17	E	1275	1234	0.47
17	E	1275	1234	0.47
18	E	905	875	13.51
18	E	905	875	13.51
19	E	797	771	0.23
19	E	797	771	0.23
20	E	571	553	16.49
20	E	571	553	16.49
21	E	211	204	0.23
21	E	211	204	0.23
22	E	168	162	0.02
22	E	168	162	0.02

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.470
C2	0.000	1.722	-0.517
C3	1.492	-0.861	-0.517
C4	-1.492	-0.861	-0.517
H5	0.000	1.563	-1.595
H6	1.353	-0.781	-1.595
H7	-1.353	-0.781	-1.595
H8	-0.883	2.294	-0.238
H9	2.429	-0.382	-0.238
H10	-1.545	-1.912	-0.238
H11	0.883	2.294	-0.238
H12	1.545	-1.912	-0.238
H13	-2.429	-0.382	-0.238

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		1.9854	1.9854	1.9854	2.5902	2.5902	2.5902	2.5585	2.5585	2.5585	2.5585	2.5585	2.5585
C2	1.9854		2.9831	2.9831	1.0897	3.0434	3.0434	1.0890	3.2258	3.9593	1.0890	3.9593	3.2258
C3	1.9854	2.9831		2.9831	3.0434	1.0897	3.0434	3.9593	1.0890	3.2258	3.2258	1.0890	3.9593
C4	1.9854	2.9831	2.9831		3.0434	3.0434	1.0897	3.2258	3.9593	1.0890	3.9593	3.2258	1.0890
H5	2.5902	1.0897	3.0434	3.0434		2.7070	2.7070	1.7774	3.3949	4.0383	1.7774	4.0383	3.3949
H6	2.5902	3.0434	1.0897	3.0434	2.7070		2.7070	4.0383	1.7774	3.3949	3.3949	1.7774	4.0383
H7	2.5902	3.0434	3.0434	1.0897	2.7070	2.7070		3.3949	4.0383	1.7774	4.0383	3.3949	1.7774
H8	2.5585	1.0890	3.9593	3.2258	1.7774	4.0383	3.3949		4.2585	4.2585	1.7667	4.8575	3.0908
H9	2.5585	3.2258	1.0890	3.9593	3.3949	1.7774	4.0383	4.2585		4.2585	3.0908	1.7667	4.8575
H10	2.5585	3.9593	3.2258	1.0890	4.0383	3.3949	1.7774	4.2585	4.2585		4.8575	3.0908	1.7667
H11	2.5585	1.0890	3.2258	3.9593	1.7774	3.3949	4.0383	1.7667	3.0908	4.8575		4.2585	4.2585
H12	2.5585	3.9593	1.0890	3.2258	4.0383	1.7774	3.3949	4.8575	1.7667	3.0908	4.2585		4.2585
H13	2.5585	3.2258	3.9593	1.0890	3.3949	4.0383	1.7774	3.0908	4.8575	1.7667	4.2585	4.2585

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	111.420	As1	C2	H8	109.148
As1	C2	H11	109.148	As1	C3	H6	111.420
As1	C3	H9	109.148	As1	C3	H12	109.148
As1	C4	H7	111.420	As1	C4	H10	109.148
As1	C4	H13	109.148	C2	As1	C3	97.400
C2	As1	C4	97.400	C3	As1	C4	97.400
H5	C2	H8	109.328	H5	C2	H11	109.328
H6	C3	H9	109.328	H6	C3	H12	109.328
H7	C4	H10	109.328	H7	C4	H13	109.328
H8	C2	H11	108.415	H9	C3	H12	108.415
H10	C4	H13	108.415

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	As	0.754
2	C	-0.767
3	C	-0.767
4	C	-0.767
5	H	0.187
6	H	0.187
7	H	0.187
8	H	0.165
9	H	0.165
10	H	0.165
11	H	0.165
12	H	0.165
13	H	0.165

	x	y	z
x	11.659	0.000	0.000
y	0.000	11.658	0.001
z	0.000	0.001	10.225

<r²>	142.250
(<r²>)^1/2	11.927

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

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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