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	hartrees
Energy at 0K	-2353.523223
Energy at 298.15K	-2353.530471
Nuclear repulsion energy	289.700083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3148	3025	33.58
2	A₁	3050	2930	16.13
3	A₁	1515	1456	4.04
4	A₁	1323	1272	1.57
5	A₁	912	876	37.18
6	A₁	556	534	1.75
7	A₁	260	250	0.39
8	A₂	3146	3023	0.00
9	A₂	1480	1422	0.00
10	A₂	768	738	0.00
11	A₂	172	165	0.00
12	E	3148	3024	9.31
12	E	3148	3024	9.31
13	E	3147	3024	11.94
13	E	3147	3024	11.94
14	E	3051	2932	18.45
14	E	3051	2932	18.46
15	E	1497	1438	8.05
15	E	1497	1438	8.05
16	E	1488	1430	1.96
16	E	1488	1430	1.97
17	E	1295	1244	0.01
17	E	1295	1244	0.01
18	E	917	881	17.91
18	E	917	881	17.91
19	E	791	760	0.63
19	E	791	760	0.63
20	E	571	549	14.03
20	E	571	549	14.03
21	E	233	224	0.12
21	E	233	224	0.12
22	E	211	202	0.00
22	E	211	202	0.00

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.471
C2	0.000	1.708	-0.520
C3	1.479	-0.854	-0.520
C4	-1.479	-0.854	-0.520
H5	0.000	1.545	-1.600
H6	1.338	-0.772	-1.600
H7	-1.338	-0.772	-1.600
H8	-0.884	2.283	-0.234
H9	2.419	-0.376	-0.234
H10	-1.535	-1.907	-0.234
H11	0.884	2.283	-0.234
H12	1.535	-1.907	-0.234
H13	-2.419	-0.376	-0.234

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		1.9749	1.9749	1.9749	2.5845	2.5845	2.5845	2.5480	2.5480	2.5480	2.5480	2.5480	2.5480
C2	1.9749		2.9587	2.9587	1.0931	3.0185	3.0185	1.0927	3.2059	3.9383	1.0927	3.9383	3.2059
C3	1.9749	2.9587		2.9587	3.0185	1.0931	3.0185	3.9383	1.0927	3.2059	3.2059	1.0927	3.9383
C4	1.9749	2.9587	2.9587		3.0185	3.0185	1.0931	3.2059	3.9383	1.0927	3.9383	3.2059	1.0927
H5	2.5845	1.0931	3.0185	3.0185		2.6757	2.6757	1.7873	3.3778	4.0176	1.7873	4.0176	3.3778
H6	2.5845	3.0185	1.0931	3.0185	2.6757		2.6757	4.0176	1.7873	3.3778	3.3778	1.7873	4.0176
H7	2.5845	3.0185	3.0185	1.0931	2.6757	2.6757		3.3778	4.0176	1.7873	4.0176	3.3778	1.7873
H8	2.5480	1.0927	3.9383	3.2059	1.7873	4.0176	3.3778		4.2407	4.2407	1.7685	4.8387	3.0703
H9	2.5480	3.2059	1.0927	3.9383	3.3778	1.7873	4.0176	4.2407		4.2407	3.0703	1.7685	4.8387
H10	2.5480	3.9383	3.2059	1.0927	4.0176	3.3778	1.7873	4.2407	4.2407		4.8387	3.0703	1.7685
H11	2.5480	1.0927	3.2059	3.9383	1.7873	3.3778	4.0176	1.7685	3.0703	4.8387		4.2407	4.2407
H12	2.5480	3.9383	1.0927	3.2059	4.0176	1.7873	3.3778	4.8387	1.7685	3.0703	4.2407		4.2407
H13	2.5480	3.2059	3.9383	1.0927	3.3778	4.0176	1.7873	3.0703	4.8387	1.7685	4.2407	4.2407

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	111.527	As1	C2	H8	108.895
As1	C2	H11	108.895	As1	C3	H6	111.527
As1	C3	H9	108.895	As1	C3	H12	108.895
As1	C4	H7	111.527	As1	C4	H10	108.895
As1	C4	H13	108.895	C2	As1	C3	97.018
C2	As1	C4	97.018	C3	As1	C4	97.018
H5	C2	H8	109.707	H5	C2	H11	109.707
H6	C3	H9	109.707	H6	C3	H12	109.707
H7	C4	H10	109.707	H7	C4	H13	109.707
H8	C2	H11	108.034	H9	C3	H12	108.034
H10	C4	H13	108.034

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

using model chemistry: B3LYP/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	0.287
2	C	-0.444
3	C	-0.444
4	C	-0.444
5	H	0.114
6	H	0.114
7	H	0.114
8	H	0.117
9	H	0.117
10	H	0.117
11	H	0.117
12	H	0.117
13	H	0.117

<r²>	140.344
(<r²>)^1/2	11.847

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

using model chemistry: B3LYP/6-31G**

States and conformations

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