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	hartrees
Energy at 0K	-124.748177
Energy at 298.15K	-124.755554
Nuclear repulsion energy	102.258210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3301	2970	73.54
2	A₁	3199	2878	31.45
3	A₁	1630	1467	14.26
4	A₁	1484	1336	8.02
5	A₁	1044	940	58.87
6	A₁	597	537	2.50
7	A₁	253	228	1.03
8	A₂	3300	2970	0.00
9	A₂	1607	1446	0.00
10	A₂	878	790	0.00
11	A₂	143	129	0.00
12	E	3301	2971	39.83
12	E	3301	2971	39.83
13	E	3298	2968	6.33
13	E	3298	2968	6.33
14	E	3197	2877	63.55
14	E	3197	2877	63.55
15	E	1622	1459	15.20
15	E	1622	1459	15.20
16	E	1613	1452	6.56
16	E	1613	1452	6.56
17	E	1462	1316	10.16
17	E	1462	1316	10.16
18	E	1032	928	25.43
18	E	1032	928	25.43
19	E	916	825	0.34
19	E	916	825	0.34
20	E	625	563	18.27
20	E	625	563	18.27
21	E	230	207	0.43
21	E	230	207	0.43
22	E	174	156	0.00
22	E	174	156	0.00

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.464
C2	0.000	1.728	-0.509
C3	1.497	-0.864	-0.509
C4	-1.497	-0.864	-0.509
H5	0.000	1.576	-1.582
H6	1.365	-0.788	-1.582
H7	-1.365	-0.788	-1.582
H8	-0.878	2.301	-0.234
H9	2.432	-0.390	-0.234
H10	-1.554	-1.911	-0.234
H11	0.878	2.301	-0.234
H12	1.554	-1.911	-0.234
H13	-2.432	-0.390	-0.234

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		1.9831	1.9831	1.9831	2.5828	2.5828	2.5828	2.5597	2.5597	2.5597	2.5597	2.5597	2.5597
C2	1.9831		2.9932	2.9932	1.0840	3.0573	3.0573	1.0835	3.2364	3.9661	1.0835	3.9661	3.2364
C3	1.9831	2.9932		2.9932	3.0573	1.0840	3.0573	3.9661	1.0835	3.2364	3.2364	1.0835	3.9661
C4	1.9831	2.9932	2.9932		3.0573	3.0573	1.0840	3.2364	3.9661	1.0835	3.9661	3.2364	1.0835
H5	2.5828	1.0840	3.0573	3.0573		2.7302	2.7302	1.7640	3.4051	4.0483	1.7640	4.0483	3.4051
H6	2.5828	3.0573	1.0840	3.0573	2.7302		2.7302	4.0483	1.7640	3.4051	3.4051	1.7640	4.0483
H7	2.5828	3.0573	3.0573	1.0840	2.7302	2.7302		3.4051	4.0483	1.7640	4.0483	3.4051	1.7640
H8	2.5597	1.0835	3.9661	3.2364	1.7640	4.0483	3.4051		4.2654	4.2654	1.7559	4.8631	3.1071
H9	2.5597	3.2364	1.0835	3.9661	3.4051	1.7640	4.0483	4.2654		4.2654	3.1071	1.7559	4.8631
H10	2.5597	3.9661	3.2364	1.0835	4.0483	3.4051	1.7640	4.2654	4.2654		4.8631	3.1071	1.7559
H11	2.5597	1.0835	3.2364	3.9661	1.7640	3.4051	4.0483	1.7559	3.1071	4.8631		4.2654	4.2654
H12	2.5597	3.9661	1.0835	3.2364	4.0483	1.7640	3.4051	4.8631	1.7559	3.1071	4.2654		4.2654
H13	2.5597	3.2364	3.9661	1.0835	3.4051	4.0483	1.7640	3.1071	4.8631	1.7559	4.2654	4.2654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	111.322	As1	C2	H8	109.656
As1	C2	H11	109.656	As1	C3	H6	111.322
As1	C3	H9	109.656	As1	C3	H12	109.656
As1	C4	H7	111.322	As1	C4	H10	109.656
As1	C4	H13	109.656	C2	As1	C3	97.995
C2	As1	C4	97.995	C3	As1	C4	97.995
H5	C2	H8	108.949	H5	C2	H11	108.949
H6	C3	H9	108.949	H6	C3	H12	108.949
H7	C4	H10	108.949	H7	C4	H13	108.949
H8	C2	H11	108.249	H9	C3	H12	108.249
H10	C4	H13	108.249

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

using model chemistry: HF/LANL2DZ

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	0.737
2	C	-0.869
3	C	-0.869
4	C	-0.869
5	H	0.205
6	H	0.205
7	H	0.205
8	H	0.209
9	H	0.209
10	H	0.209
11	H	0.209
12	H	0.209
13	H	0.209

<r²>	134.073
(<r²>)^1/2	11.579

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

using model chemistry: HF/LANL2DZ

States and conformations

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