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	hartrees
Energy at 0K	-28.562960
Energy at 298.15K	-28.569934
Nuclear repulsion energy	68.451695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3098	3019	66.31
2	A₁	2987	2911	28.58
3	A₁	1505	1466	20.55
4	A₁	1339	1305	5.50
5	A₁	944	920	53.12
6	A₁	536	522	2.98
7	A₁	231	225	1.48
8	A₂	3100	3021	0.00
9	A₂	1478	1440	0.00
10	A₂	793	773	0.00
11	A₂	129	126	0.00
12	E	3102	3023	34.01
12	E	3102	3023	34.06
13	E	3095	3017	8.99
13	E	3095	3017	8.99
14	E	2987	2911	40.83
14	E	2987	2911	40.83
15	E	1493	1455	15.68
15	E	1493	1455	15.68
16	E	1488	1450	5.73
16	E	1488	1450	5.72
17	E	1310	1277	5.88
17	E	1310	1277	5.88
18	E	932	909	18.50
18	E	932	909	18.51
19	E	819	798	0.14
19	E	819	798	0.14
20	E	560	546	15.25
20	E	560	546	15.25
21	E	207	202	0.26
21	E	207	202	0.26
22	E	158	154	0.00
22	E	158	154	0.00

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.481
C2	0.000	1.741	-0.530
C3	1.508	-0.871	-0.530
C4	-1.508	-0.871	-0.530
H5	0.000	1.576	-1.615
H6	1.365	-0.788	-1.615
H7	-1.365	-0.788	-1.615
H8	-0.890	2.317	-0.249
H9	2.452	-0.388	-0.249
H10	-1.562	-1.929	-0.249
H11	0.890	2.317	-0.249
H12	1.562	-1.929	-0.249
H13	-2.452	-0.388	-0.249

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		2.0135	2.0135	2.0135	2.6227	2.6227	2.6227	2.5872	2.5872	2.5872	2.5872	2.5872	2.5872
C2	2.0135		3.0158	3.0158	1.0974	3.0722	3.0722	1.0966	3.2590	3.9987	1.0966	3.9987	3.2590
C3	2.0135	3.0158		3.0158	3.0722	1.0974	3.0722	3.9987	1.0966	3.2590	3.2590	1.0966	3.9987
C4	2.0135	3.0158	3.0158		3.0722	3.0722	1.0974	3.2590	3.9987	1.0966	3.9987	3.2590	1.0966
H5	2.6227	1.0974	3.0722	3.0722		2.7303	2.7303	1.7906	3.4254	4.0735	1.7906	4.0735	3.4254
H6	2.6227	3.0722	1.0974	3.0722	2.7303		2.7303	4.0735	1.7906	3.4254	3.4254	1.7906	4.0735
H7	2.6227	3.0722	3.0722	1.0974	2.7303	2.7303		3.4254	4.0735	1.7906	4.0735	3.4254	1.7906
H8	2.5872	1.0966	3.9987	3.2590	1.7906	4.0735	3.4254		4.2990	4.2990	1.7801	4.9032	3.1230
H9	2.5872	3.2590	1.0966	3.9987	3.4254	1.7906	4.0735	4.2990		4.2990	3.1230	1.7801	4.9032
H10	2.5872	3.9987	3.2590	1.0966	4.0735	3.4254	1.7906	4.2990	4.2990		4.9032	3.1230	1.7801
H11	2.5872	1.0966	3.2590	3.9987	1.7906	3.4254	4.0735	1.7801	3.1230	4.9032		4.2990	4.2990
H12	2.5872	3.9987	1.0966	3.2590	4.0735	1.7906	3.4254	4.9032	1.7801	3.1230	4.2990		4.2990
H13	2.5872	3.2590	3.9987	1.0966	3.4254	4.0735	1.7906	3.1230	4.9032	1.7801	4.2990	4.2990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	111.507	As1	C2	H8	108.988
As1	C2	H11	108.988	As1	C3	H6	111.507
As1	C3	H9	108.988	As1	C3	H12	108.988
As1	C4	H7	111.507	As1	C4	H10	108.988
As1	C4	H13	108.988	C2	As1	C3	96.990
C2	As1	C4	96.990	C3	As1	C4	96.990
H5	C2	H8	109.397	H5	C2	H11	109.397
H6	C3	H9	109.397	H6	C3	H12	109.397
H7	C4	H10	109.397	H7	C4	H13	109.397
H8	C2	H11	108.509	H9	C3	H12	108.509
H10	C4	H13	108.509

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

using model chemistry: B3LYP/CEP-121G

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	0.681
2	C	-0.708
3	C	-0.708
4	C	-0.708
5	H	0.157
6	H	0.157
7	H	0.157
8	H	0.162
9	H	0.162
10	H	0.162
11	H	0.162
12	H	0.162
13	H	0.162

	x	y	z
x	10.345	0.000	0.000
y	0.000	10.345	0.001
z	0.000	0.001	8.644

<r²>	116.044
(<r²>)^1/2	10.772

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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