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	hartrees
Energy at 0K	-125.849700
Energy at 298.15K	-125.856620
Nuclear repulsion energy	101.446387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3152	3029	59.52
2	A₁	3042	2924	22.53
3	A₁	1508	1450	15.62
4	A₁	1355	1302	9.69
5	A₁	957	919	61.39
6	A₁	550	529	2.49
7	A₁	237	228	0.47
8	A₂	3150	3028	0.00
9	A₂	1483	1425	0.00
10	A₂	803	772	0.00
11	A₂	99	95	0.00
12	E	3152	3030	27.93
12	E	3152	3030	27.93
13	E	3149	3027	8.52
13	E	3149	3027	8.52
14	E	3043	2925	36.07
14	E	3043	2925	36.08
15	E	1499	1441	16.92
15	E	1499	1441	16.92
16	E	1490	1432	7.27
16	E	1490	1432	7.27
17	E	1329	1277	12.92
17	E	1329	1277	12.93
18	E	945	908	24.46
18	E	945	908	24.46
19	E	834	801	2.35
19	E	834	801	2.35
20	E	574	552	14.44
20	E	574	552	14.45
21	E	212	203	0.14
21	E	212	203	0.14
22	E	154	148	0.03
22	E	154	148	0.03

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.480
C2	0.000	1.733	-0.526
C3	1.501	-0.867	-0.526
C4	-1.501	-0.867	-0.526
H5	0.000	1.564	-1.610
H6	1.355	-0.782	-1.610
H7	-1.355	-0.782	-1.610
H8	-0.889	2.315	-0.254
H9	2.449	-0.387	-0.254
H10	-1.560	-1.927	-0.254
H11	0.889	2.315	-0.254
H12	1.560	-1.927	-0.254
H13	-2.449	-0.387	-0.254

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		2.0042	2.0042	2.0042	2.6103	2.6103	2.6103	2.5859	2.5859	2.5859	2.5859	2.5859	2.5859
C2	2.0042		3.0024	3.0024	1.0969	3.0557	3.0557	1.0966	3.2512	3.9886	1.0966	3.9886	3.2512
C3	2.0042	3.0024		3.0024	3.0557	1.0969	3.0557	3.9886	1.0966	3.2512	3.2512	1.0966	3.9886
C4	2.0042	3.0024	3.0024		3.0557	3.0557	1.0969	3.2512	3.9886	1.0966	3.9886	3.2512	1.0966
H5	2.6103	1.0969	3.0557	3.0557		2.7093	2.7093	1.7868	3.4126	4.0575	1.7868	4.0575	3.4126
H6	2.6103	3.0557	1.0969	3.0557	2.7093		2.7093	4.0575	1.7868	3.4126	3.4126	1.7868	4.0575
H7	2.6103	3.0557	3.0557	1.0969	2.7093	2.7093		3.4126	4.0575	1.7868	4.0575	3.4126	1.7868
H8	2.5859	1.0966	3.9886	3.2512	1.7868	4.0575	3.4126		4.2948	4.2948	1.7780	4.8982	3.1202
H9	2.5859	3.2512	1.0966	3.9886	3.4126	1.7868	4.0575	4.2948		4.2948	3.1202	1.7780	4.8982
H10	2.5859	3.9886	3.2512	1.0966	4.0575	3.4126	1.7868	4.2948	4.2948		4.8982	3.1202	1.7780
H11	2.5859	1.0966	3.2512	3.9886	1.7868	3.4126	4.0575	1.7780	3.1202	4.8982		4.2948	4.2948
H12	2.5859	3.9886	1.0966	3.2512	4.0575	1.7868	3.4126	4.8982	1.7780	3.1202	4.2948		4.2948
H13	2.5859	3.2512	3.9886	1.0966	3.4126	4.0575	1.7868	3.1202	4.8982	1.7780	4.2948	4.2948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	111.256	As1	C2	H8	109.502
As1	C2	H11	109.502	As1	C3	H6	111.256
As1	C3	H9	109.502	As1	C3	H12	109.502
As1	C4	H7	111.256	As1	C4	H10	109.502
As1	C4	H13	109.502	C2	As1	C3	97.010
C2	As1	C4	97.010	C3	As1	C4	97.010
H5	C2	H8	109.096	H5	C2	H11	109.096
H6	C3	H9	109.096	H6	C3	H12	109.096
H7	C4	H10	109.096	H7	C4	H13	109.096
H8	C2	H11	108.334	H9	C3	H12	108.334
H10	C4	H13	108.334

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

using model chemistry: B3LYP/LANL2DZ

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	0.621
2	C	-0.884
3	C	-0.884
4	C	-0.884
5	H	0.225
6	H	0.225
7	H	0.225
8	H	0.226
9	H	0.226
10	H	0.226
11	H	0.226
12	H	0.226
13	H	0.226

<r²>	134.822
(<r²>)^1/2	11.611

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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