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	hartrees
Energy at 0K	-2352.963960
Energy at 298.15K	-2352.971064
Nuclear repulsion energy	289.355291

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3094	3052	27.94
2	A₁	2988	2947	15.61
3	A₁	1466	1446	4.76
4	A₁	1269	1252	2.35
5	A₁	880	868	36.30
6	A₁	550	542	1.61
7	A₁	252	248	0.26
8	A₂	3095	3053	0.00
9	A₂	1427	1407	0.00
10	A₂	741	731	0.00
11	A₂	165	163	0.00
12	E	3096	3053	12.26
12	E	3096	3053	12.26
13	E	3094	3052	3.67
13	E	3094	3052	3.67
14	E	2991	2950	15.18
14	E	2991	2950	15.18
15	E	1444	1425	9.34
15	E	1444	1425	9.34
16	E	1437	1417	1.94
16	E	1437	1417	1.94
17	E	1240	1223	0.25
17	E	1240	1223	0.25
18	E	887	874	17.93
18	E	887	874	17.93
19	E	762	751	0.96
19	E	762	751	0.96
20	E	564	557	14.18
20	E	564	557	14.18
21	E	226	223	0.08
21	E	226	223	0.08
22	E	207	204	0.00
22	E	207	204	0.00

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.475
C2	0.000	1.705	-0.524
C3	1.477	-0.852	-0.524
C4	-1.477	-0.852	-0.524
H5	0.000	1.535	-1.611
H6	1.329	-0.768	-1.611
H7	-1.329	-0.768	-1.611
H8	-0.890	2.284	-0.237
H9	2.423	-0.371	-0.237
H10	-1.533	-1.913	-0.237
H11	0.890	2.284	-0.237
H12	1.533	-1.913	-0.237
H13	-2.423	-0.371	-0.237

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		1.9759	1.9759	1.9759	2.5903	2.5903	2.5903	2.5529	2.5529	2.5529	2.5529	2.5529	2.5529
C2	1.9759		2.9530	2.9530	1.1008	3.0105	3.0105	1.1002	3.2038	3.9399	1.1002	3.9399	3.2038
C3	1.9759	2.9530		2.9530	3.0105	1.1008	3.0105	3.9399	1.1002	3.2038	3.2038	1.1002	3.9399
C4	1.9759	2.9530	2.9530		3.0105	3.0105	1.1008	3.2038	3.9399	1.1002	3.9399	3.2038	1.1002
H5	2.5903	1.1008	3.0105	3.0105		2.6588	2.6588	1.8007	3.3755	4.0161	1.8007	4.0161	3.3755
H6	2.5903	3.0105	1.1008	3.0105	2.6588		2.6588	4.0161	1.8007	3.3755	3.3755	1.8007	4.0161
H7	2.5903	3.0105	3.0105	1.1008	2.6588	2.6588		3.3755	4.0161	1.8007	4.0161	3.3755	1.8007
H8	2.5529	1.1002	3.9399	3.2038	1.8007	4.0161	3.3755		4.2463	4.2463	1.7808	4.8467	3.0659
H9	2.5529	3.2038	1.1002	3.9399	3.3755	1.8007	4.0161	4.2463		4.2463	3.0659	1.7808	4.8467
H10	2.5529	3.9399	3.2038	1.1002	4.0161	3.3755	1.8007	4.2463	4.2463		4.8467	3.0659	1.7808
H11	2.5529	1.1002	3.2038	3.9399	1.8007	3.3755	4.0161	1.7808	3.0659	4.8467		4.2463	4.2463
H12	2.5529	3.9399	1.1002	3.2038	4.0161	1.8007	3.3755	4.8467	1.7808	3.0659	4.2463		4.2463
H13	2.5529	3.2038	3.9399	1.1002	3.3755	4.0161	1.8007	3.0659	4.8467	1.7808	4.2463	4.2463

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	111.485	As1	C2	H8	108.819
As1	C2	H11	108.819	As1	C3	H6	111.485
As1	C3	H9	108.819	As1	C3	H12	108.819
As1	C4	H7	111.485	As1	C4	H10	108.819
As1	C4	H13	108.819	C2	As1	C3	96.706
C2	As1	C4	96.706	C3	As1	C4	96.706
H5	C2	H8	109.795	H5	C2	H11	109.795
H6	C3	H9	109.795	H6	C3	H12	109.795
H7	C4	H10	109.795	H7	C4	H13	109.795
H8	C2	H11	108.052	H9	C3	H12	108.052
H10	C4	H13	108.052

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

using model chemistry: PBEPBE/6-31G**

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	0.262
2	C	-0.486
3	C	-0.486
4	C	-0.486
5	H	0.130
6	H	0.130
7	H	0.130
8	H	0.135
9	H	0.135
10	H	0.135
11	H	0.135
12	H	0.135
13	H	0.135

	x	y	z
x	9.615	0.000	0.000
y	0.000	9.615	0.001
z	0.000	0.001	8.011

<r²>	140.327
(<r²>)^1/2	11.846

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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