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	hartrees
Energy at 0K	-2344.471590
Energy at 298.15K	-2344.478956
HF Energy	-2344.471590
Nuclear repulsion energy	289.874624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3171	3006	22.98
2	A₁	3075	2914	13.09
3	A₁	1560	1479	13.50
4	A₁	1378	1306	10.33
5	A₁	950	901	51.76
6	A₁	607	575	1.91
7	A₁	257	244	0.64
8	A₂	3171	3005	0.00
9	A₂	1526	1446	0.00
10	A₂	798	756	0.00
11	A₂	166	157	0.00
12	E	3172	3006	11.55
12	E	3172	3006	11.53
13	E	3169	3004	4.99
13	E	3169	3004	5.00
14	E	3076	2916	12.82
14	E	3076	2916	12.87
15	E	1544	1463	16.95
15	E	1544	1463	16.96
16	E	1539	1458	2.72
16	E	1539	1458	2.72
17	E	1355	1284	9.51
17	E	1355	1284	9.52
18	E	945	896	20.06
18	E	945	896	20.10
19	E	832	788	2.87
19	E	832	788	2.88
20	E	626	593	14.66
20	E	626	593	14.69
21	E	235	223	0.11
21	E	235	223	0.11
22	E	193	183	0.00
22	E	193	183	0.00

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.487
C2	0.000	1.695	-0.535
C3	1.468	-0.848	-0.535
C4	-1.468	-0.848	-0.535
H5	0.000	1.501	-1.612
H6	1.300	-0.750	-1.612
H7	-1.300	-0.750	-1.612
H8	-0.889	2.276	-0.268
H9	2.416	-0.369	-0.268
H10	-1.527	-1.908	-0.268
H11	0.889	2.276	-0.268
H12	1.527	-1.908	-0.268
H13	-2.416	-0.369	-0.268

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		1.9797	1.9797	1.9797	2.5811	2.5811	2.5811	2.5577	2.5577	2.5577	2.5577	2.5577	2.5577
C2	1.9797		2.9361	2.9361	1.0946	2.9717	2.9717	1.0947	3.1884	3.9221	1.0947	3.9221	3.1884
C3	1.9797	2.9361		2.9361	2.9717	1.0946	2.9717	3.9221	1.0947	3.1884	3.1884	1.0947	3.9221
C4	1.9797	2.9361	2.9361		2.9717	2.9717	1.0946	3.1884	3.9221	1.0947	3.9221	3.1884	1.0947
H5	2.5811	1.0946	2.9717	2.9717		2.5996	2.5996	1.7881	3.3372	3.9695	1.7881	3.9695	3.3372
H6	2.5811	2.9717	1.0946	2.9717	2.5996		2.5996	3.9695	1.7881	3.3372	3.3372	1.7881	3.9695
H7	2.5811	2.9717	2.9717	1.0946	2.5996	2.5996		3.3372	3.9695	1.7881	3.9695	3.3372	1.7881
H8	2.5577	1.0947	3.9221	3.1884	1.7881	3.9695	3.3372		4.2323	4.2323	1.7770	4.8311	3.0541
H9	2.5577	3.1884	1.0947	3.9221	3.3372	1.7881	3.9695	4.2323		4.2323	3.0541	1.7770	4.8311
H10	2.5577	3.9221	3.1884	1.0947	3.9695	3.3372	1.7881	4.2323	4.2323		4.8311	3.0541	1.7770
H11	2.5577	1.0947	3.1884	3.9221	1.7881	3.3372	3.9695	1.7770	3.0541	4.8311		4.2323	4.2323
H12	2.5577	3.9221	1.0947	3.1884	3.9695	1.7881	3.3372	4.8311	1.7770	3.0541	4.2323		4.2323
H13	2.5577	3.1884	3.9221	1.0947	3.3372	3.9695	1.7881	3.0541	4.8311	1.7770	4.2323	4.2323

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	110.878	As1	C2	H8	109.182
As1	C2	H11	109.182	As1	C3	H6	110.878
As1	C3	H9	109.182	As1	C3	H12	109.182
As1	C4	H7	110.878	As1	C4	H10	109.182
As1	C4	H13	109.182	C2	As1	C3	95.726
C2	As1	C4	95.726	C3	As1	C4	95.726
H5	C2	H8	109.523	H5	C2	H11	109.523
H6	C3	H9	109.523	H6	C3	H12	109.523
H7	C4	H10	109.523	H7	C4	H13	109.523
H8	C2	H11	108.512	H9	C3	H12	108.512
H10	C4	H13	108.512

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

using model chemistry: wB97X-D/3-21G*

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	0.507
2	C	-0.794
3	C	-0.794
4	C	-0.794
5	H	0.205
6	H	0.205
7	H	0.205
8	H	0.210
9	H	0.210
10	H	0.210
11	H	0.210
12	H	0.210
13	H	0.210

	x	y	z
x	8.754	0.000	0.000
y	0.000	8.751	0.003
z	0.000	0.003	7.262

<r²>	139.441
(<r²>)^1/2	11.808

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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