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	hartrees
Energy at 0K	-2353.464458
Energy at 298.15K	-2353.471221
Nuclear repulsion energy	285.691031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3050	3034	43.55
2	A₁	2963	2947	26.69
3	A₁	1449	1442	10.11
4	A₁	1269	1262	2.39
5	A₁	886	881	26.43
6	A₁	515	512	2.45
7	A₁	230	228	1.09
8	A₂	3054	3038	0.00
9	A₂	1426	1418	0.00
10	A₂	750	746	0.00
11	A₂	132	131	0.00
12	E	3055	3039	20.09
12	E	3055	3039	20.09
13	E	3050	3034	4.24
13	E	3050	3034	4.24
14	E	2964	2948	30.13
14	E	2964	2948	30.13
15	E	1441	1433	11.77
15	E	1441	1433	11.77
16	E	1432	1425	4.27
16	E	1432	1425	4.27
17	E	1240	1234	0.16
17	E	1240	1234	0.16
18	E	886	882	12.46
18	E	886	882	12.46
19	E	778	773	0.18
19	E	778	773	0.18
20	E	527	524	16.16
20	E	527	524	16.16
21	E	205	204	0.22
21	E	205	204	0.22
22	E	158	157	0.01
22	E	158	157	0.01

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.479
C2	0.000	1.734	-0.526
C3	1.502	-0.867	-0.526
C4	-1.502	-0.867	-0.526
H5	0.000	1.573	-1.616
H6	1.362	-0.787	-1.616
H7	-1.362	-0.787	-1.616
H8	-0.892	2.315	-0.246
H9	2.451	-0.385	-0.246
H10	-1.559	-1.930	-0.246
H11	0.892	2.315	-0.246
H12	1.559	-1.930	-0.246
H13	-2.451	-0.385	-0.246

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		2.0045	2.0045	2.0045	2.6196	2.6196	2.6196	2.5844	2.5844	2.5844	2.5844	2.5844	2.5844
C2	2.0045		3.0041	3.0041	1.1017	3.0658	3.0658	1.1009	3.2521	3.9922	1.1009	3.9922	3.2521
C3	2.0045	3.0041		3.0041	3.0658	1.1017	3.0658	3.9922	1.1009	3.2521	3.2521	1.1009	3.9922
C4	2.0045	3.0041	3.0041		3.0658	3.0658	1.1017	3.2521	3.9922	1.1009	3.9922	3.2521	1.1009
H5	2.6196	1.1017	3.0658	3.0658		2.7247	2.7247	1.7957	3.4231	4.0720	1.7957	4.0720	3.4231
H6	2.6196	3.0658	1.1017	3.0658	2.7247		2.7247	4.0720	1.7957	3.4231	3.4231	1.7957	4.0720
H7	2.6196	3.0658	3.0658	1.1017	2.7247	2.7247		3.4231	4.0720	1.7957	4.0720	3.4231	1.7957
H8	2.5844	1.1009	3.9922	3.2521	1.7957	4.0720	3.4231		4.2971	4.2971	1.7848	4.9018	3.1170
H9	2.5844	3.2521	1.1009	3.9922	3.4231	1.7957	4.0720	4.2971		4.2971	3.1170	1.7848	4.9018
H10	2.5844	3.9922	3.2521	1.1009	4.0720	3.4231	1.7957	4.2971	4.2971		4.9018	3.1170	1.7848
H11	2.5844	1.1009	3.2521	3.9922	1.7957	3.4231	4.0720	1.7848	3.1170	4.9018		4.2971	4.2971
H12	2.5844	3.9922	1.1009	3.2521	4.0720	1.7957	3.4231	4.9018	1.7848	3.1170	4.2971		4.2971
H13	2.5844	3.2521	3.9922	1.1009	3.4231	4.0720	1.7957	3.1170	4.9018	1.7848	4.2971	4.2971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	111.666	As1	C2	H8	109.171
As1	C2	H11	109.171	As1	C3	H6	111.666
As1	C3	H9	109.171	As1	C3	H12	109.171
As1	C4	H7	111.666	As1	C4	H10	109.171
As1	C4	H13	109.171	C2	As1	C3	97.068
C2	As1	C4	97.068	C3	As1	C4	97.068
H5	C2	H8	109.231	H5	C2	H11	109.231
H6	C3	H9	109.231	H6	C3	H12	109.231
H7	C4	H10	109.231	H7	C4	H13	109.231
H8	C2	H11	108.308	H9	C3	H12	108.308
H10	C4	H13	108.308

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

using model chemistry: BLYP/6-31+G**

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	0.312
2	C	-0.573
3	C	-0.573
4	C	-0.573
5	H	0.157
6	H	0.157
7	H	0.157
8	H	0.156
9	H	0.156
10	H	0.156
11	H	0.156
12	H	0.156
13	H	0.156

<r²>	144.730
(<r²>)^1/2	12.030

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

using model chemistry: BLYP/6-31+G**

States and conformations

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