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	hartrees
Energy at 0K	-2353.508069
Energy at 298.15K	-2353.515302
Nuclear repulsion energy	289.520280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3147	3015	35.52
2	A₁	3054	2926	17.32
3	A₁	1532	1468	4.80
4	A₁	1336	1280	1.89
5	A₁	917	879	38.44
6	A₁	554	531	1.76
7	A₁	258	247	0.41
8	A₂	3146	3014	0.00
9	A₂	1500	1437	0.00
10	A₂	780	747	0.00
11	A₂	176	168	0.00
12	E	3147	3015	21.31
12	E	3147	3015	21.31
13	E	3146	3014	1.89
13	E	3146	3014	1.89
14	E	3055	2927	18.84
14	E	3055	2927	18.84
15	E	1515	1451	8.70
15	E	1515	1451	8.70
16	E	1507	1443	2.20
16	E	1507	1443	2.20
17	E	1310	1255	0.03
17	E	1310	1255	0.03
18	E	926	887	18.16
18	E	926	887	18.16
19	E	797	764	0.64
19	E	797	764	0.64
20	E	571	547	13.39
20	E	571	547	13.39
21	E	234	224	0.12
21	E	234	224	0.12
22	E	204	196	0.00
22	E	204	196	0.00

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.474
C2	0.000	1.707	-0.522
C3	1.479	-0.854	-0.522
C4	-1.479	-0.854	-0.522
H5	0.000	1.538	-1.603
H6	1.332	-0.769	-1.603
H7	-1.332	-0.769	-1.603
H8	-0.885	2.284	-0.240
H9	2.421	-0.375	-0.240
H10	-1.535	-1.909	-0.240
H11	0.885	2.284	-0.240
H12	1.535	-1.909	-0.240
H13	-2.421	-0.375	-0.240

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		1.9764	1.9764	1.9764	2.5845	2.5845	2.5845	2.5515	2.5515	2.5515	2.5515	2.5515	2.5515
C2	1.9764		2.9572	2.9572	1.0943	3.0128	3.0128	1.0937	3.2058	3.9388	1.0937	3.9388	3.2058
C3	1.9764	2.9572		2.9572	3.0128	1.0943	3.0128	3.9388	1.0937	3.2058	3.2058	1.0937	3.9388
C4	1.9764	2.9572	2.9572		3.0128	3.0128	1.0943	3.2058	3.9388	1.0937	3.9388	3.2058	1.0937
H5	2.5845	1.0943	3.0128	3.0128		2.6645	2.6645	1.7885	3.3735	4.0124	1.7885	4.0124	3.3735
H6	2.5845	3.0128	1.0943	3.0128	2.6645		2.6645	4.0124	1.7885	3.3735	3.3735	1.7885	4.0124
H7	2.5845	3.0128	3.0128	1.0943	2.6645	2.6645		3.3735	4.0124	1.7885	4.0124	3.3735	1.7885
H8	2.5515	1.0937	3.9388	3.2058	1.7885	4.0124	3.3735		4.2430	4.2430	1.7709	4.8416	3.0706
H9	2.5515	3.2058	1.0937	3.9388	3.3735	1.7885	4.0124	4.2430		4.2430	3.0706	1.7709	4.8416
H10	2.5515	3.9388	3.2058	1.0937	4.0124	3.3735	1.7885	4.2430	4.2430		4.8416	3.0706	1.7709
H11	2.5515	1.0937	3.2058	3.9388	1.7885	3.3735	4.0124	1.7709	3.0706	4.8416		4.2430	4.2430
H12	2.5515	3.9388	1.0937	3.2058	4.0124	1.7885	3.3735	4.8416	1.7709	3.0706	4.2430		4.2430
H13	2.5515	3.2058	3.9388	1.0937	3.3735	4.0124	1.7885	3.0706	4.8416	1.7709	4.2430	4.2430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	111.364	As1	C2	H8	108.999
As1	C2	H11	108.999	As1	C3	H6	111.364
As1	C3	H9	108.999	As1	C3	H12	108.999
As1	C4	H7	111.364	As1	C4	H10	108.999
As1	C4	H13	108.999	C2	As1	C3	96.857
C2	As1	C4	96.857	C3	As1	C4	96.857
H5	C2	H8	109.652	H5	C2	H11	109.652
H6	C3	H9	109.652	H6	C3	H12	109.652
H7	C4	H10	109.652	H7	C4	H13	109.652
H8	C2	H11	108.110	H9	C3	H12	108.110
H10	C4	H13	108.110

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

using model chemistry: B3LYPultrafine/6-31G*

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	0.307
2	C	-0.577
3	C	-0.577
4	C	-0.577
5	H	0.155
6	H	0.155
7	H	0.155
8	H	0.160
9	H	0.160
10	H	0.160
11	H	0.160
12	H	0.160
13	H	0.160

<r²>	140.442
(<r²>)^1/2	11.851

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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