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	hartrees
Energy at 0K	-2344.431931
Energy at 298.15K	-2344.439103
Nuclear repulsion energy	289.070878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3145	3017	26.17
2	A₁	3046	2923	12.58
3	A₁	1547	1484	11.14
4	A₁	1351	1296	7.39
5	A₁	931	893	50.31
6	A₁	587	563	1.83
7	A₁	238	229	0.37
8	A₂	3141	3013	0.00
9	A₂	1511	1450	0.00
10	A₂	786	754	0.00
11	A₂	150	144	0.00
12	E	3143	3015	5.47
12	E	3143	3015	5.46
13	E	3142	3014	12.12
13	E	3142	3014	12.12
14	E	3048	2924	14.77
14	E	3048	2924	14.78
15	E	1529	1467	14.45
15	E	1529	1467	14.45
16	E	1525	1463	3.26
16	E	1525	1463	3.26
17	E	1327	1273	5.48
17	E	1327	1273	5.48
18	E	934	896	21.10
18	E	934	896	21.10
19	E	811	778	2.52
19	E	811	778	2.51
20	E	609	584	14.00
20	E	609	584	14.01
21	E	221	212	0.06
21	E	221	212	0.06
22	E	180	173	0.01
22	E	180	173	0.01

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.488
C2	0.000	1.698	-0.536
C3	1.471	-0.849	-0.536
C4	-1.471	-0.849	-0.536
H5	0.000	1.501	-1.614
H6	1.300	-0.750	-1.614
H7	-1.300	-0.750	-1.614
H8	-0.890	2.278	-0.266
H9	2.418	-0.368	-0.266
H10	-1.528	-1.910	-0.266
H11	0.890	2.278	-0.266
H12	1.528	-1.910	-0.266
H13	-2.418	-0.368	-0.266

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		1.9832	1.9832	1.9832	2.5823	2.5823	2.5823	2.5594	2.5594	2.5594	2.5594	2.5594	2.5594
C2	1.9832		2.9419	2.9419	1.0956	2.9744	2.9744	1.0960	3.1922	3.9278	1.0960	3.9278	3.1922
C3	1.9832	2.9419		2.9419	2.9744	1.0956	2.9744	3.9278	1.0960	3.1922	3.1922	1.0960	3.9278
C4	1.9832	2.9419	2.9419		2.9744	2.9744	1.0956	3.1922	3.9278	1.0960	3.9278	3.1922	1.0960
H5	2.5823	1.0956	2.9744	2.9744		2.5994	2.5994	1.7922	3.3398	3.9727	1.7922	3.9727	3.3398
H6	2.5823	2.9744	1.0956	2.9744	2.5994		2.5994	3.9727	1.7922	3.3398	3.3398	1.7922	3.9727
H7	2.5823	2.9744	2.9744	1.0956	2.5994	2.5994		3.3398	3.9727	1.7922	3.9727	3.3398	1.7922
H8	2.5594	1.0960	3.9278	3.1922	1.7922	3.9727	3.3398		4.2363	4.2363	1.7803	4.8359	3.0556
H9	2.5594	3.1922	1.0960	3.9278	3.3398	1.7922	3.9727	4.2363		4.2363	3.0556	1.7803	4.8359
H10	2.5594	3.9278	3.1922	1.0960	3.9727	3.3398	1.7922	4.2363	4.2363		4.8359	3.0556	1.7803
H11	2.5594	1.0960	3.1922	3.9278	1.7922	3.3398	3.9727	1.7803	3.0556	4.8359		4.2363	4.2363
H12	2.5594	3.9278	1.0960	3.1922	3.9727	1.7922	3.3398	4.8359	1.7803	3.0556	4.2363		4.2363
H13	2.5594	3.1922	3.9278	1.0960	3.3398	3.9727	1.7922	3.0556	4.8359	1.7803	4.2363	4.2363

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	110.682	As1	C2	H8	109.016
As1	C2	H11	109.016	As1	C3	H6	110.682
As1	C3	H9	109.016	As1	C3	H12	109.016
As1	C4	H7	110.682	As1	C4	H10	109.016
As1	C4	H13	109.016	C2	As1	C3	95.753
C2	As1	C4	95.753	C3	As1	C4	95.753
H5	C2	H8	109.730	H5	C2	H11	109.730
H6	C3	H9	109.730	H6	C3	H12	109.730
H7	C4	H10	109.730	H7	C4	H13	109.730
H8	C2	H11	108.629	H9	C3	H12	108.629
H10	C4	H13	108.629

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

using model chemistry: B3PW91/3-21G*

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	0.501
2	C	-0.798
3	C	-0.798
4	C	-0.798
5	H	0.208
6	H	0.208
7	H	0.208
8	H	0.212
9	H	0.212
10	H	0.212
11	H	0.212
12	H	0.212
13	H	0.212

<r²>	140.163
(<r²>)^1/2	11.839

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

using model chemistry: B3PW91/3-21G*

States and conformations

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