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	hartrees
Energy at 0K	-2352.738933
Energy at 298.15K	-2352.746170
Nuclear repulsion energy	287.281134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3108	3065	32.23
2	A₁	2993	2951	19.61
3	A₁	1507	1486	13.11
4	A₁	1319	1301	6.35
5	A₁	912	900	49.53
6	A₁	547	540	1.71
7	A₁	282	278	0.47
8	A₂	3108	3065	0.00
9	A₂	1452	1432	0.00
10	A₂	770	759	0.00
11	A₂	157	155	0.00
12	E	3109	3066	16.50
12	E	3109	3066	16.49
13	E	3105	3062	6.07
13	E	3105	3062	6.07
14	E	2994	2953	19.90
14	E	2994	2953	19.90
15	E	1475	1455	17.40
15	E	1475	1455	17.40
16	E	1473	1452	4.41
16	E	1473	1452	4.41
17	E	1284	1266	5.58
17	E	1284	1266	5.58
18	E	918	905	19.31
18	E	918	905	19.31
19	E	788	777	1.09
19	E	788	777	1.09
20	E	557	549	10.88
20	E	557	549	10.89
21	E	243	240	0.12
21	E	243	240	0.12
22	E	205	202	0.02
22	E	205	202	0.02

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.498
C2	0.000	1.702	-0.549
C3	1.474	-0.851	-0.549
C4	-1.474	-0.851	-0.549
H5	0.000	1.493	-1.631
H6	1.293	-0.747	-1.631
H7	-1.293	-0.747	-1.631
H8	-0.894	2.286	-0.280
H9	2.427	-0.369	-0.280
H10	-1.533	-1.917	-0.280
H11	0.894	2.286	-0.280
H12	1.533	-1.917	-0.280
H13	-2.427	-0.369	-0.280

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		1.9981	1.9981	1.9981	2.6006	2.6006	2.6006	2.5751	2.5751	2.5751	2.5751	2.5751	2.5751
C2	1.9981		2.9474	2.9474	1.1020	2.9726	2.9726	1.1014	3.2016	3.9393	1.1014	3.9393	3.2016
C3	1.9981	2.9474		2.9474	2.9726	1.1020	2.9726	3.9393	1.1014	3.2016	3.2016	1.1014	3.9393
C4	1.9981	2.9474	2.9474		2.9726	2.9726	1.1020	3.2016	3.9393	1.1014	3.9393	3.2016	1.1014
H5	2.6006	1.1020	2.9726	2.9726		2.5862	2.5862	1.8038	3.3441	3.9757	1.8038	3.9757	3.3441
H6	2.6006	2.9726	1.1020	2.9726	2.5862		2.5862	3.9757	1.8038	3.3441	3.3441	1.8038	3.9757
H7	2.6006	2.9726	2.9726	1.1020	2.5862	2.5862		3.3441	3.9757	1.8038	3.9757	3.3441	1.8038
H8	2.5751	1.1014	3.9393	3.2016	1.8038	3.9757	3.3441		4.2517	4.2517	1.7875	4.8537	3.0662
H9	2.5751	3.2016	1.1014	3.9393	3.3441	1.8038	3.9757	4.2517		4.2517	3.0662	1.7875	4.8537
H10	2.5751	3.9393	3.2016	1.1014	3.9757	3.3441	1.8038	4.2517	4.2517		4.8537	3.0662	1.7875
H11	2.5751	1.1014	3.2016	3.9393	1.8038	3.3441	3.9757	1.7875	3.0662	4.8537		4.2517	4.2517
H12	2.5751	3.9393	1.1014	3.2016	3.9757	1.8038	3.3441	4.8537	1.7875	3.0662	4.2517		4.2517
H13	2.5751	3.2016	3.9393	1.1014	3.3441	3.9757	1.8038	3.0662	4.8537	1.7875	4.2517	4.2517

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	110.699	As1	C2	H8	108.904
As1	C2	H11	108.904	As1	C3	H6	110.699
As1	C3	H9	108.904	As1	C3	H12	108.904
As1	C4	H7	110.699	As1	C4	H10	108.904
As1	C4	H13	108.904	C2	As1	C3	95.047
C2	As1	C4	95.047	C3	As1	C4	95.047
H5	C2	H8	109.903	H5	C2	H11	109.903
H6	C3	H9	109.903	H6	C3	H12	109.903
H7	C4	H10	109.903	H7	C4	H13	109.903
H8	C2	H11	108.483	H9	C3	H12	108.483
H10	C4	H13	108.483

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

using model chemistry: PBEPBE/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	0.588
2	C	-0.723
3	C	-0.723
4	C	-0.723
5	H	0.171
6	H	0.171
7	H	0.171
8	H	0.178
9	H	0.178
10	H	0.178
11	H	0.178
12	H	0.178
13	H	0.178

	x	y	z
x	9.269	0.000	0.000
y	0.000	9.269	0.001
z	0.000	0.001	7.708

<r²>	141.747
(<r²>)^1/2	11.906

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

using model chemistry: PBEPBE/6-31G

States and conformations

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