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	hartrees
Energy at 0K	-2352.949536
Energy at 298.15K	-2352.956658
Nuclear repulsion energy	289.182608

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3090	3039	29.85
2	A₁	2990	2940	16.86
3	A₁	1485	1460	5.80
4	A₁	1284	1263	2.81
5	A₁	887	872	37.83
6	A₁	548	539	1.61
7	A₁	254	249	0.28
8	A₂	3093	3042	0.00
9	A₂	1448	1424	0.00
10	A₂	753	740	0.00
11	A₂	174	171	0.00
12	E	3093	3042	14.14
12	E	3093	3042	14.14
13	E	3090	3039	3.64
13	E	3090	3039	3.64
14	E	2992	2943	15.55
14	E	2992	2943	15.55
15	E	1465	1441	10.17
15	E	1465	1441	10.17
16	E	1457	1433	2.31
16	E	1457	1433	2.31
17	E	1256	1235	0.40
17	E	1256	1235	0.40
18	E	897	882	18.23
18	E	897	882	18.23
19	E	770	757	1.07
19	E	770	757	1.07
20	E	564	555	13.48
20	E	564	555	13.48
21	E	231	228	0.09
21	E	231	228	0.09
22	E	201	198	0.00
22	E	201	198	0.00

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.478
C2	0.000	1.704	-0.526
C3	1.475	-0.852	-0.526
C4	-1.475	-0.852	-0.526
H5	0.000	1.527	-1.614
H6	1.322	-0.763	-1.614
H7	-1.322	-0.763	-1.614
H8	-0.892	2.285	-0.244
H9	2.425	-0.370	-0.244
H10	-1.533	-1.915	-0.244
H11	0.892	2.285	-0.244
H12	1.533	-1.915	-0.244
H13	-2.425	-0.370	-0.244

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		1.9774	1.9774	1.9774	2.5900	2.5900	2.5900	2.5566	2.5566	2.5566	2.5566	2.5566	2.5566
C2	1.9774		2.9507	2.9507	1.1022	3.0031	3.0031	1.1014	3.2029	3.9398	1.1014	3.9398	3.2029
C3	1.9774	2.9507		2.9507	3.0031	1.1022	3.0031	3.9398	1.1014	3.2029	3.2029	1.1014	3.9398
C4	1.9774	2.9507	2.9507		3.0031	3.0031	1.1022	3.2029	3.9398	1.1014	3.9398	3.2029	1.1014
H5	2.5900	1.1022	3.0031	3.0031		2.6447	2.6447	1.8023	3.3698	4.0091	1.8023	4.0091	3.3698
H6	2.5900	3.0031	1.1022	3.0031	2.6447		2.6447	4.0091	1.8023	3.3698	3.3698	1.8023	4.0091
H7	2.5900	3.0031	3.0031	1.1022	2.6447	2.6447		3.3698	4.0091	1.8023	4.0091	3.3698	1.8023
H8	2.5566	1.1014	3.9398	3.2029	1.8023	4.0091	3.3698		4.2482	4.2482	1.7838	4.8493	3.0655
H9	2.5566	3.2029	1.1014	3.9398	3.3698	1.8023	4.0091	4.2482		4.2482	3.0655	1.7838	4.8493
H10	2.5566	3.9398	3.2029	1.1014	4.0091	3.3698	1.8023	4.2482	4.2482		4.8493	3.0655	1.7838
H11	2.5566	1.1014	3.2029	3.9398	1.8023	3.3698	4.0091	1.7838	3.0655	4.8493		4.2482	4.2482
H12	2.5566	3.9398	1.1014	3.2029	4.0091	1.8023	3.3698	4.8493	1.7838	3.0655	4.2482		4.2482
H13	2.5566	3.2029	3.9398	1.1014	3.3698	4.0091	1.8023	3.0655	4.8493	1.7838	4.2482	4.2482

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	111.291	As1	C2	H8	108.928
As1	C2	H11	108.928	As1	C3	H6	111.291
As1	C3	H9	108.928	As1	C3	H12	108.928
As1	C4	H7	111.291	As1	C4	H10	108.928
As1	C4	H13	108.928	C2	As1	C3	96.506
C2	As1	C4	96.506	C3	As1	C4	96.506
H5	C2	H8	109.741	H5	C2	H11	109.741
H6	C3	H9	109.741	H6	C3	H12	109.741
H7	C4	H10	109.741	H7	C4	H13	109.741
H8	C2	H11	108.148	H9	C3	H12	108.148
H10	C4	H13	108.148

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

using model chemistry: PBEPBEultrafine/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	0.286
2	C	-0.612
3	C	-0.612
4	C	-0.612
5	H	0.168
6	H	0.168
7	H	0.168
8	H	0.174
9	H	0.174
10	H	0.174
11	H	0.174
12	H	0.174
13	H	0.174

	x	y	z
x	9.503	0.000	0.000
y	0.000	9.502	-0.000
z	0.000	-0.000	7.936

<r²>	140.400
(<r²>)^1/2	11.849

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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