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	hartrees
Energy at 0K	-2355.082771
Energy at 298.15K	-2355.089614
Nuclear repulsion energy	287.403773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3061	3029	38.81
2	A₁	2970	2939	22.17
3	A₁	1455	1440	11.74
4	A₁	1273	1260	4.18
5	A₁	887	878	35.90
6	A₁	545	540	1.98
7	A₁	226	223	0.68
8	A₂	3066	3034	0.00
9	A₂	1423	1408	0.00
10	A₂	748	740	0.00
11	A₂	137	136	0.00
12	E	3067	3035	17.63
12	E	3067	3035	17.63
13	E	3061	3029	5.05
13	E	3061	3029	5.05
14	E	2971	2940	21.24
14	E	2971	2940	21.23
15	E	1440	1425	12.97
15	E	1440	1425	12.97
16	E	1434	1419	4.27
16	E	1434	1419	4.27
17	E	1246	1233	1.71
17	E	1246	1233	1.71
18	E	885	875	15.93
18	E	885	875	15.93
19	E	777	769	1.25
19	E	777	769	1.25
20	E	560	554	14.88
20	E	560	554	14.89
21	E	203	201	0.18
21	E	203	201	0.18
22	E	163	162	0.00
22	E	163	162	0.00

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.480
C2	0.000	1.718	-0.527
C3	1.487	-0.859	-0.527
C4	-1.487	-0.859	-0.527
H5	0.000	1.550	-1.615
H6	1.343	-0.775	-1.615
H7	-1.343	-0.775	-1.615
H8	-0.890	2.302	-0.253
H9	2.438	-0.380	-0.253
H10	-1.548	-1.922	-0.253
H11	0.890	2.302	-0.253
H12	1.548	-1.922	-0.253
H13	-2.438	-0.380	-0.253

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		1.9912	1.9912	1.9912	2.6062	2.6062	2.6062	2.5742	2.5742	2.5742	2.5742	2.5742	2.5742
C2	1.9912		2.9749	2.9749	1.1003	3.0330	3.0330	1.0995	3.2280	3.9644	1.0995	3.9644	3.2280
C3	1.9912	2.9749		2.9749	3.0330	1.1003	3.0330	3.9644	1.0995	3.2280	3.2280	1.0995	3.9644
C4	1.9912	2.9749	2.9749		3.0330	3.0330	1.1003	3.2280	3.9644	1.0995	3.9644	3.2280	1.0995
H5	2.6062	1.1003	3.0330	3.0330		2.6853	2.6853	1.7922	3.3950	4.0383	1.7922	4.0383	3.3950
H6	2.6062	3.0330	1.1003	3.0330	2.6853		2.6854	4.0383	1.7922	3.3950	3.3950	1.7922	4.0383
H7	2.6062	3.0330	3.0330	1.1003	2.6853	2.6854		3.3950	4.0383	1.7922	4.0383	3.3950	1.7922
H8	2.5742	1.0995	3.9644	3.2280	1.7922	4.0383	3.3950		4.2742	4.2742	1.7805	4.8766	3.0962
H9	2.5742	3.2280	1.0995	3.9644	3.3950	1.7922	4.0383	4.2742		4.2742	3.0962	1.7805	4.8766
H10	2.5742	3.9644	3.2280	1.0995	4.0383	3.3950	1.7922	4.2742	4.2742		4.8766	3.0962	1.7805
H11	2.5742	1.0995	3.2280	3.9644	1.7922	3.3950	4.0383	1.7805	3.0962	4.8766		4.2742	4.2742
H12	2.5742	3.9644	1.0995	3.2280	4.0383	1.7922	3.3950	4.8766	1.7805	3.0962	4.2742		4.2742
H13	2.5742	3.2280	3.9644	1.0995	3.3950	4.0383	1.7922	3.0962	4.8766	1.7805	4.2742	4.2742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	111.654	As1	C2	H8	109.377
As1	C2	H11	109.377	As1	C3	H6	111.654
As1	C3	H9	109.377	As1	C3	H12	109.377
As1	C4	H7	111.654	As1	C4	H10	109.377
As1	C4	H13	109.377	C2	As1	C3	96.664
C2	As1	C4	96.664	C3	As1	C4	96.664
H5	C2	H8	109.120	H5	C2	H11	109.120
H6	C3	H9	109.120	H6	C3	H12	109.120
H7	C4	H10	109.120	H7	C4	H13	109.120
H8	C2	H11	108.123	H9	C3	H12	108.123
H10	C4	H13	108.123

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

using model chemistry: PBEPBE/6-311G*

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	0.501
2	C	-0.853
3	C	-0.853
4	C	-0.853
5	H	0.223
6	H	0.223
7	H	0.223
8	H	0.232
9	H	0.232
10	H	0.232
11	H	0.232
12	H	0.232
13	H	0.232

	x	y	z
x	10.420	0.000	0.000
y	0.000	10.419	0.001
z	0.000	0.001	8.880

<r²>	142.704
(<r²>)^1/2	11.946

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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