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	hartrees
Energy at 0K	-2355.684774
Energy at 298.15K	-2355.691817
Nuclear repulsion energy	289.856634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3131	3011	29.11
2	A₁	3039	2923	16.69
3	A₁	1473	1417	8.30
4	A₁	1292	1243	3.71
5	A₁	904	869	31.53
6	A₁	571	549	2.61
7	A₁	233	224	0.86
8	A₂	3136	3015	0.00
9	A₂	1449	1394	0.00
10	A₂	761	732	0.00
11	A₂	150	144	0.00
12	E	3136	3016	11.76
12	E	3136	3016	11.76
13	E	3132	3012	2.65
13	E	3132	3012	2.64
14	E	3042	2925	17.33
14	E	3042	2925	17.32
15	E	1464	1408	8.69
15	E	1464	1408	8.69
16	E	1455	1399	3.68
16	E	1455	1399	3.68
17	E	1269	1220	0.86
17	E	1269	1220	0.86
18	E	904	869	15.95
18	E	904	869	15.95
19	E	793	762	0.56
19	E	793	762	0.56
20	E	587	564	17.29
20	E	587	564	17.29
21	E	212	203	0.19
21	E	212	203	0.19
22	E	171	164	0.00
22	E	171	164	0.00

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.467
C2	0.000	1.713	-0.513
C3	1.483	-0.856	-0.513
C4	-1.483	-0.856	-0.513
H5	0.000	1.557	-1.592
H6	1.349	-0.779	-1.592
H7	-1.349	-0.779	-1.592
H8	-0.884	2.286	-0.231
H9	2.421	-0.378	-0.231
H10	-1.538	-1.908	-0.231
H11	0.884	2.286	-0.231
H12	1.538	-1.908	-0.231
H13	-2.421	-0.378	-0.231

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		1.9729	1.9729	1.9729	2.5816	2.5816	2.5816	2.5479	2.5479	2.5479	2.5479	2.5479	2.5479
C2	1.9729		2.9664	2.9664	1.0907	3.0318	3.0318	1.0901	3.2110	3.9437	1.0901	3.9437	3.2110
C3	1.9729	2.9664		2.9664	3.0318	1.0907	3.0318	3.9437	1.0901	3.2110	3.2110	1.0901	3.9437
C4	1.9729	2.9664	2.9664		3.0318	3.0318	1.0907	3.2110	3.9437	1.0901	3.9437	3.2110	1.0901
H5	2.5816	1.0907	3.0318	3.0318		2.6977	2.6977	1.7786	3.3851	4.0282	1.7786	4.0282	3.3851
H6	2.5816	3.0318	1.0907	3.0318	2.6977		2.6977	4.0282	1.7786	3.3851	3.3851	1.7786	4.0282
H7	2.5816	3.0318	3.0318	1.0907	2.6977	2.6977		3.3851	4.0282	1.7786	4.0282	3.3851	1.7786
H8	2.5479	1.0901	3.9437	3.2110	1.7786	4.0282	3.3851		4.2443	4.2443	1.7673	4.8424	3.0751
H9	2.5479	3.2110	1.0901	3.9437	3.3851	1.7786	4.0282	4.2443		4.2443	3.0751	1.7673	4.8424
H10	2.5479	3.9437	3.2110	1.0901	4.0282	3.3851	1.7786	4.2443	4.2443		4.8424	3.0751	1.7673
H11	2.5479	1.0901	3.2110	3.9437	1.7786	3.3851	4.0282	1.7673	3.0751	4.8424		4.2443	4.2443
H12	2.5479	3.9437	1.0901	3.2110	4.0282	1.7786	3.3851	4.8424	1.7673	3.0751	4.2443		4.2443
H13	2.5479	3.2110	3.9437	1.0901	3.3851	4.0282	1.7786	3.0751	4.8424	1.7673	4.2443	4.2443

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	111.583	As1	C2	H8	109.152
As1	C2	H11	109.152	As1	C3	H6	111.583
As1	C3	H9	109.152	As1	C3	H12	109.152
As1	C4	H7	111.583	As1	C4	H10	109.152
As1	C4	H13	109.152	C2	As1	C3	97.493
C2	As1	C4	97.493	C3	As1	C4	97.493
H5	C2	H8	109.291	H5	C2	H11	109.291
H6	C3	H9	109.291	H6	C3	H12	109.291
H7	C4	H10	109.291	H7	C4	H13	109.291
H8	C2	H11	108.312	H9	C3	H12	108.312
H10	C4	H13	108.312

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

using model chemistry: B3PW91/cc-pVTZ

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	0.267
2	C	-0.379
3	C	-0.379
4	C	-0.379
5	H	0.092
6	H	0.092
7	H	0.092
8	H	0.099
9	H	0.099
10	H	0.099
11	H	0.099
12	H	0.099
13	H	0.099

	x	y	z
x	10.791	0.000	0.000
y	0.000	10.790	0.001
z	0.000	0.001	9.222

<r²>	140.654
(<r²>)^1/2	11.860

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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