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	hartrees
Energy at 0K	-2343.720261
Energy at 298.15K	-2343.727084
Nuclear repulsion energy	286.479584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3074	3046	29.63
2	A₁	2982	2955	15.45
3	A₁	1495	1481	13.14
4	A₁	1331	1318	5.12
5	A₁	919	911	60.58
6	A₁	574	569	2.18
7	A₁	206	204	0.62
8	A₂	3078	3050	0.00
9	A₂	1465	1451	0.00
10	A₂	786	779	0.00
11	A₂	115	114	0.00
12	E	3078	3050	12.56
12	E	3078	3050	12.56
13	E	3073	3045	3.41
13	E	3073	3045	3.40
14	E	2984	2957	15.05
14	E	2984	2957	15.05
15	E	1483	1470	16.99
15	E	1483	1470	16.99
16	E	1477	1463	6.52
16	E	1477	1463	6.52
17	E	1301	1289	5.59
17	E	1301	1289	5.59
18	E	924	915	22.96
18	E	924	915	22.96
19	E	805	798	1.98
19	E	805	798	1.97
20	E	579	574	12.17
20	E	579	574	12.17
21	E	191	189	0.14
21	E	191	189	0.14
22	E	147	146	0.00
22	E	147	146	0.00

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.479
C2	0.000	1.726	-0.526
C3	1.495	-0.863	-0.526
C4	-1.495	-0.863	-0.526
H5	0.000	1.565	-1.617
H6	1.355	-0.782	-1.617
H7	-1.355	-0.782	-1.617
H8	-0.894	2.309	-0.247
H9	2.447	-0.380	-0.247
H10	-1.552	-1.929	-0.247
H11	0.894	2.309	-0.247
H12	1.552	-1.929	-0.247
H13	-2.447	-0.380	-0.247

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		1.9971	1.9971	1.9971	2.6157	2.6157	2.6157	2.5800	2.5800	2.5800	2.5800	2.5800	2.5800
C2	1.9971		2.9901	2.9901	1.1038	3.0532	3.0532	1.1032	3.2403	3.9810	1.1032	3.9810	3.2403
C3	1.9971	2.9901		2.9901	3.0532	1.1038	3.0532	3.9810	1.1032	3.2403	3.2403	1.1032	3.9810
C4	1.9971	2.9901	2.9901		3.0532	3.0532	1.1038	3.2403	3.9810	1.1032	3.9810	3.2403	1.1032
H5	2.6157	1.1038	3.0532	3.0532		2.7102	2.7102	1.7980	3.4127	4.0614	1.7980	4.0614	3.4127
H6	2.6157	3.0532	1.1038	3.0532	2.7102		2.7102	4.0614	1.7980	3.4127	3.4127	1.7980	4.0614
H7	2.6157	3.0532	3.0532	1.1038	2.7102	2.7102		3.4127	4.0614	1.7980	4.0614	3.4127	1.7980
H8	2.5800	1.1032	3.9810	3.2403	1.7980	4.0614	3.4127		4.2885	4.2885	1.7889	4.8933	3.1044
H9	2.5800	3.2403	1.1032	3.9810	3.4127	1.7980	4.0614	4.2885		4.2885	3.1044	1.7889	4.8933
H10	2.5800	3.9810	3.2403	1.1032	4.0614	3.4127	1.7980	4.2885	4.2885		4.8933	3.1044	1.7889
H11	2.5800	1.1032	3.2403	3.9810	1.7980	3.4127	4.0614	1.7889	3.1044	4.8933		4.2885	4.2885
H12	2.5800	3.9810	1.1032	3.2403	4.0614	1.7980	3.4127	4.8933	1.7889	3.1044	4.2885		4.2885
H13	2.5800	3.2403	3.9810	1.1032	3.4127	4.0614	1.7980	3.1044	4.8933	1.7889	4.2885	4.2885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	111.766	As1	C2	H8	109.224
As1	C2	H11	109.224	As1	C3	H6	111.766
As1	C3	H9	109.224	As1	C3	H12	109.224
As1	C4	H7	111.766	As1	C4	H10	109.224
As1	C4	H13	109.224	C2	As1	C3	96.941
C2	As1	C4	96.941	C3	As1	C4	96.941
H5	C2	H8	109.109	H5	C2	H11	109.109
H6	C3	H9	109.109	H6	C3	H12	109.109
H7	C4	H10	109.109	H7	C4	H13	109.109
H8	C2	H11	108.343	H9	C3	H12	108.343
H10	C4	H13	108.343

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

using model chemistry: PBEPBE/3-21G

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	0.809
2	C	-0.917
3	C	-0.917
4	C	-0.917
5	H	0.213
6	H	0.213
7	H	0.213
8	H	0.218
9	H	0.218
10	H	0.218
11	H	0.218
12	H	0.218
13	H	0.218

<r²>	143.156
(<r²>)^1/2	11.965

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

using model chemistry: PBEPBE/3-21G

States and conformations

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