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	hartrees
Energy at 0K	-125.935350
Energy at 298.15K	-125.942249
Nuclear repulsion energy	101.464519

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3152	3030	58.95
2	A₁	3041	2923	19.60
3	A₁	1506	1448	16.96
4	A₁	1347	1295	9.25
5	A₁	950	913	62.38
6	A₁	549	528	3.42
7	A₁	235	226	0.53
8	A₂	3149	3027	0.00
9	A₂	1482	1425	0.00
10	A₂	792	762	0.00
11	A₂	102	98	0.00
12	E	3151	3029	29.08
12	E	3151	3029	29.09
13	E	3150	3028	8.82
13	E	3150	3028	8.82
14	E	3042	2924	35.97
14	E	3042	2924	35.98
15	E	1498	1440	17.83
15	E	1498	1440	17.83
16	E	1489	1431	6.61
16	E	1489	1431	6.62
17	E	1320	1269	12.40
17	E	1320	1269	12.40
18	E	938	901	23.84
18	E	938	901	23.84
19	E	822	790	2.35
19	E	822	790	2.35
20	E	572	550	14.85
20	E	572	550	14.85
21	E	209	201	0.12
21	E	209	201	0.12
22	E	154	148	0.02
22	E	154	148	0.02

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.479
C2	0.000	1.733	-0.526
C3	1.501	-0.867	-0.526
C4	-1.501	-0.867	-0.526
H5	0.000	1.567	-1.611
H6	1.357	-0.784	-1.611
H7	-1.357	-0.784	-1.611
H8	-0.890	2.311	-0.250
H9	2.447	-0.385	-0.250
H10	-1.557	-1.926	-0.250
H11	0.890	2.311	-0.250
H12	1.557	-1.926	-0.250
H13	-2.447	-0.385	-0.250

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		2.0036	2.0036	2.0036	2.6121	2.6121	2.6121	2.5817	2.5817	2.5817	2.5817	2.5817	2.5817
C2	2.0036		3.0018	3.0018	1.0968	3.0579	3.0579	1.0967	3.2478	3.9864	1.0967	3.9864	3.2478
C3	2.0036	3.0018		3.0018	3.0579	1.0968	3.0579	3.9864	1.0967	3.2478	3.2478	1.0967	3.9864
C4	2.0036	3.0018	3.0018		3.0579	3.0579	1.0968	3.2478	3.9864	1.0967	3.9864	3.2478	1.0967
H5	2.6121	1.0968	3.0579	3.0579		2.7143	2.7143	1.7882	3.4130	4.0595	1.7882	4.0595	3.4130
H6	2.6121	3.0579	1.0968	3.0579	2.7143		2.7144	4.0595	1.7882	3.4130	3.4130	1.7882	4.0595
H7	2.6121	3.0579	3.0579	1.0968	2.7143	2.7144		3.4130	4.0595	1.7882	4.0595	3.4130	1.7882
H8	2.5817	1.0967	3.9864	3.2478	1.7882	4.0595	3.4130		4.2897	4.2897	1.7799	4.8931	3.1132
H9	2.5817	3.2478	1.0967	3.9864	3.4130	1.7882	4.0595	4.2897		4.2897	3.1132	1.7799	4.8931
H10	2.5817	3.9864	3.2478	1.0967	4.0595	3.4130	1.7882	4.2897	4.2897		4.8931	3.1132	1.7799
H11	2.5817	1.0967	3.2478	3.9864	1.7882	3.4130	4.0595	1.7799	3.1132	4.8931		4.2897	4.2897
H12	2.5817	3.9864	1.0967	3.2478	4.0595	1.7882	3.4130	4.8931	1.7799	3.1132	4.2897		4.2897
H13	2.5817	3.2478	3.9864	1.0967	3.4130	4.0595	1.7882	3.1132	4.8931	1.7799	4.2897	4.2897

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	111.419	As1	C2	H8	109.231
As1	C2	H11	109.231	As1	C3	H6	111.419
As1	C3	H9	109.231	As1	C3	H12	109.231
As1	C4	H7	111.419	As1	C4	H10	109.231
As1	C4	H13	109.231	C2	As1	C3	97.022
C2	As1	C4	97.022	C3	As1	C4	97.022
H5	C2	H8	109.216	H5	C2	H11	109.216
H6	C3	H9	109.216	H6	C3	H12	109.217
H7	C4	H10	109.217	H7	C4	H13	109.216
H8	C2	H11	108.476	H9	C3	H12	108.476
H10	C4	H13	108.476

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

using model chemistry: B3LYP/SDD

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	0.649
2	C	-0.872
3	C	-0.872
4	C	-0.872
5	H	0.218
6	H	0.218
7	H	0.218
8	H	0.219
9	H	0.219
10	H	0.219
11	H	0.219
12	H	0.219
13	H	0.219

<r²>	134.543
(<r²>)^1/2	11.599

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

using model chemistry: B3LYP/SDD

States and conformations

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