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	hartrees
Energy at 0K	-2355.767950
Energy at 298.15K	-2355.774950
Nuclear repulsion energy	288.713144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3113	3016	32.61
2	A₁	3029	2935	19.65
3	A₁	1482	1436	8.23
4	A₁	1301	1260	3.43
5	A₁	905	877	25.47
6	A₁	557	540	2.76
7	A₁	234	226	1.16
8	A₂	3117	3020	0.00
9	A₂	1459	1413	0.00
10	A₂	765	741	0.00
11	A₂	147	143	0.00
12	E	3118	3020	14.26
12	E	3118	3020	14.26
13	E	3113	3016	2.89
13	E	3113	3016	2.89
14	E	3031	2937	19.90
14	E	3031	2937	19.90
15	E	1472	1427	8.60
15	E	1472	1427	8.60
16	E	1465	1419	3.15
16	E	1465	1419	3.15
17	E	1277	1238	0.57
17	E	1277	1238	0.57
18	E	905	877	13.55
18	E	905	877	13.55
19	E	796	771	0.22
19	E	796	771	0.22
20	E	572	554	16.53
20	E	572	554	16.54
21	E	211	204	0.24
21	E	211	204	0.24
22	E	167	162	0.02
22	E	167	162	0.02

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.470
C2	0.000	1.721	-0.516
C3	1.490	-0.860	-0.516
C4	-1.490	-0.860	-0.516
H5	0.000	1.562	-1.594
H6	1.353	-0.781	-1.594
H7	-1.353	-0.781	-1.594
H8	-0.883	2.293	-0.237
H9	2.427	-0.382	-0.237
H10	-1.544	-1.911	-0.237
H11	0.883	2.293	-0.237
H12	1.544	-1.911	-0.237
H13	-2.427	-0.382	-0.237

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		1.9833	1.9833	1.9833	2.5881	2.5881	2.5881	2.5563	2.5563	2.5563	2.5563	2.5563	2.5563
C2	1.9833		2.9805	2.9805	1.0892	3.0414	3.0414	1.0885	3.2233	3.9563	1.0885	3.9563	3.2233
C3	1.9833	2.9805		2.9805	3.0414	1.0892	3.0414	3.9563	1.0885	3.2233	3.2233	1.0885	3.9563
C4	1.9833	2.9805	2.9805		3.0414	3.0414	1.0892	3.2233	3.9563	1.0885	3.9563	3.2233	1.0885
H5	2.5881	1.0892	3.0414	3.0414		2.7056	2.7056	1.7764	3.3928	4.0359	1.7764	4.0359	3.3928
H6	2.5881	3.0414	1.0892	3.0414	2.7056		2.7056	4.0359	1.7764	3.3928	3.3928	1.7764	4.0359
H7	2.5881	3.0414	3.0414	1.0892	2.7056	2.7056		3.3928	4.0359	1.7764	4.0359	3.3928	1.7764
H8	2.5563	1.0885	3.9563	3.2233	1.7764	4.0359	3.3928		4.2554	4.2554	1.7657	4.8540	3.0883
H9	2.5563	3.2233	1.0885	3.9563	3.3928	1.7764	4.0359	4.2554		4.2554	3.0883	1.7657	4.8540
H10	2.5563	3.9563	3.2233	1.0885	4.0359	3.3928	1.7764	4.2554	4.2554		4.8540	3.0883	1.7657
H11	2.5563	1.0885	3.2233	3.9563	1.7764	3.3928	4.0359	1.7657	3.0883	4.8540		4.2554	4.2554
H12	2.5563	3.9563	1.0885	3.2233	4.0359	1.7764	3.3928	4.8540	1.7657	3.0883	4.2554		4.2554
H13	2.5563	3.2233	3.9563	1.0885	3.3928	4.0359	1.7764	3.0883	4.8540	1.7657	4.2554	4.2554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	111.434	As1	C2	H8	109.155
As1	C2	H11	109.155	As1	C3	H6	111.434
As1	C3	H9	109.155	As1	C3	H12	109.155
As1	C4	H7	111.434	As1	C4	H10	109.155
As1	C4	H13	109.155	C2	As1	C3	97.424
C2	As1	C4	97.424	C3	As1	C4	97.424
H5	C2	H8	109.321	H5	C2	H11	109.321
H6	C3	H9	109.321	H6	C3	H12	109.321
H7	C4	H10	109.321	H7	C4	H13	109.321
H8	C2	H11	108.400	H9	C3	H12	108.400
H10	C4	H13	108.400

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

using model chemistry: B3LYP/cc-pVQZ

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	1.278
2	C	-1.274
3	C	-1.274
4	C	-1.274
5	H	0.239
6	H	0.239
7	H	0.239
8	H	0.305
9	H	0.305
10	H	0.305
11	H	0.305
12	H	0.305
13	H	0.305

	x	y	z
x	11.636	0.000	0.000
y	0.000	11.636	0.001
z	0.000	0.001	10.215

<r²>	142.033
(<r²>)^1/2	11.918

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

using model chemistry: B3LYP/cc-pVQZ

States and conformations

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