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	hartrees
Energy at 0K	-2350.870112
Energy at 298.15K	-2350.877517
Nuclear repulsion energy	291.744856

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3264	2951	51.88
2	A₁	3179	2875	28.65
3	A₁	1600	1446	9.64
4	A₁	1443	1305	2.93
5	A₁	1001	905	36.81
6	A₁	608	550	2.11
7	A₁	253	229	1.55
8	A₂	3267	2954	0.00
9	A₂	1581	1430	0.00
10	A₂	836	756	0.00
11	A₂	161	146	0.00
12	E	3268	2955	25.47
12	E	3268	2955	25.47
13	E	3262	2950	5.90
13	E	3262	2950	5.90
14	E	3179	2874	35.11
14	E	3179	2874	35.11
15	E	1595	1442	10.71
15	E	1595	1442	10.71
16	E	1584	1432	4.69
16	E	1584	1432	4.69
17	E	1418	1282	1.21
17	E	1418	1282	1.21
18	E	997	901	17.20
18	E	997	901	17.20
19	E	878	794	0.01
19	E	878	794	0.01
20	E	623	563	16.22
20	E	623	563	16.22
21	E	232	210	0.37
21	E	232	210	0.37
22	E	183	165	0.04
22	E	183	165	0.04

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.455
C2	0.000	1.708	-0.499
C3	1.480	-0.854	-0.499
C4	-1.480	-0.854	-0.499
H5	0.000	1.566	-1.575
H6	1.356	-0.783	-1.575
H7	-1.356	-0.783	-1.575
H8	-0.877	2.282	-0.219
H9	2.415	-0.381	-0.219
H10	-1.537	-1.901	-0.219
H11	0.877	2.282	-0.219
H12	1.537	-1.901	-0.219
H13	-2.415	-0.381	-0.219

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		1.9565	1.9565	1.9565	2.5637	2.5637	2.5637	2.5358	2.5358	2.5358	2.5358	2.5358	2.5358
C2	1.9565		2.9590	2.9590	1.0854	3.0341	3.0341	1.0846	3.2052	3.9327	1.0846	3.9327	3.2052
C3	1.9565	2.9590		2.9590	3.0341	1.0854	3.0341	3.9327	1.0846	3.2052	3.2052	1.0846	3.9327
C4	1.9565	2.9590	2.9590		3.0341	3.0341	1.0854	3.2052	3.9327	1.0846	3.9327	3.2052	1.0846
H5	2.5637	1.0854	3.0341	3.0341		2.7129	2.7129	1.7658	3.3850	4.0273	1.7658	4.0273	3.3850
H6	2.5637	3.0341	1.0854	3.0341	2.7129		2.7129	4.0273	1.7658	3.3850	3.3850	1.7658	4.0273
H7	2.5637	3.0341	3.0341	1.0854	2.7129	2.7129		3.3850	4.0273	1.7658	4.0273	3.3850	1.7658
H8	2.5358	1.0846	3.9327	3.2052	1.7658	4.0273	3.3850		4.2340	4.2340	1.7550	4.8293	3.0743
H9	2.5358	3.2052	1.0846	3.9327	3.3850	1.7658	4.0273	4.2340		4.2340	3.0743	1.7550	4.8293
H10	2.5358	3.9327	3.2052	1.0846	4.0273	3.3850	1.7658	4.2340	4.2340		4.8293	3.0743	1.7550
H11	2.5358	1.0846	3.2052	3.9327	1.7658	3.3850	4.0273	1.7550	3.0743	4.8293		4.2340	4.2340
H12	2.5358	3.9327	1.0846	3.2052	4.0273	1.7658	3.3850	4.8293	1.7550	3.0743	4.2340		4.2340
H13	2.5358	3.2052	3.9327	1.0846	3.3850	4.0273	1.7658	3.0743	4.8293	1.7550	4.2340	4.2340

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	111.645	As1	C2	H8	109.636
As1	C2	H11	109.636	As1	C3	H6	111.645
As1	C3	H9	109.636	As1	C3	H12	109.636
As1	C4	H7	111.645	As1	C4	H10	109.636
As1	C4	H13	109.636	C2	As1	C3	98.263
C2	As1	C4	98.263	C3	As1	C4	98.263
H5	C2	H8	108.923	H5	C2	H11	108.923
H6	C3	H9	108.923	H6	C3	H12	108.923
H7	C4	H10	108.923	H7	C4	H13	108.923
H8	C2	H11	108.002	H9	C3	H12	108.002
H10	C4	H13	108.002

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

using model chemistry: HF/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	0.286
2	C	-0.517
3	C	-0.517
4	C	-0.517
5	H	0.137
6	H	0.137
7	H	0.137
8	H	0.143
9	H	0.143
10	H	0.143
11	H	0.143
12	H	0.143
13	H	0.143

<r²>	140.105
(<r²>)^1/2	11.837

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

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

States and conformations

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