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	hartrees
Energy at 0K	-2353.695145
Energy at 298.15K	-2353.702437
Nuclear repulsion energy	292.699809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3183	3022	29.27
2	A₁	3081	2925	18.20
3	A₁	1533	1456	6.50
4	A₁	1336	1268	4.35
5	A₁	914	867	37.49
6	A₁	585	555	1.70
7	A₁	251	238	0.46
8	A₂	3187	3026	0.00
9	A₂	1496	1420	0.00
10	A₂	777	737	0.00
11	A₂	174	165	0.00
12	E	3188	3026	13.45
12	E	3188	3026	13.45
13	E	3184	3023	3.81
13	E	3184	3023	3.80
14	E	3084	2927	15.92
14	E	3084	2927	15.91
15	E	1512	1436	10.74
15	E	1512	1436	10.75
16	E	1505	1429	2.27
16	E	1505	1429	2.27
17	E	1309	1242	1.06
17	E	1309	1242	1.06
18	E	928	881	19.19
18	E	928	881	19.19
19	E	793	753	0.65
19	E	793	753	0.65
20	E	601	571	14.65
20	E	601	571	14.65
21	E	230	219	0.12
21	E	230	219	0.12
22	E	214	203	0.00
22	E	214	203	0.00

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.470
C2	0.000	1.684	-0.517
C3	1.458	-0.842	-0.517
C4	-1.458	-0.842	-0.517
H5	0.000	1.510	-1.595
H6	1.308	-0.755	-1.595
H7	-1.308	-0.755	-1.595
H8	-0.883	2.261	-0.239
H9	2.400	-0.366	-0.239
H10	-1.517	-1.895	-0.239
H11	0.883	2.261	-0.239
H12	1.517	-1.895	-0.239
H13	-2.400	-0.366	-0.239

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		1.9518	1.9518	1.9518	2.5587	2.5587	2.5587	2.5289	2.5289	2.5289	2.5289	2.5289	2.5289
C2	1.9518		2.9162	2.9162	1.0918	2.9701	2.9701	1.0910	3.1682	3.8969	1.0910	3.8969	3.1682
C3	1.9518	2.9162		2.9162	2.9701	1.0918	2.9701	3.8969	1.0910	3.1682	3.1682	1.0910	3.8969
C4	1.9518	2.9162	2.9162		2.9701	2.9701	1.0918	3.1682	3.8969	1.0910	3.8969	3.1682	1.0910
H5	2.5587	1.0918	2.9701	2.9701		2.6163	2.6163	1.7840	3.3346	3.9672	1.7840	3.9672	3.3346
H6	2.5587	2.9701	1.0918	2.9701	2.6163		2.6163	3.9672	1.7840	3.3346	3.3346	1.7840	3.9672
H7	2.5587	2.9701	2.9701	1.0918	2.6163	2.6163		3.3346	3.9672	1.7840	3.9672	3.3346	1.7840
H8	2.5289	1.0910	3.8969	3.1682	1.7840	3.9672	3.3346		4.2044	4.2044	1.7656	4.7993	3.0338
H9	2.5289	3.1682	1.0910	3.8969	3.3346	1.7840	3.9672	4.2044		4.2044	3.0338	1.7656	4.7993
H10	2.5289	3.8969	3.1682	1.0910	3.9672	3.3346	1.7840	4.2044	4.2044		4.7993	3.0338	1.7656
H11	2.5289	1.0910	3.1682	3.8969	1.7840	3.3346	3.9672	1.7656	3.0338	4.7993		4.2044	4.2044
H12	2.5289	3.8969	1.0910	3.1682	3.9672	1.7840	3.3346	4.7993	1.7656	3.0338	4.2044		4.2044
H13	2.5289	3.1682	3.8969	1.0910	3.3346	3.9672	1.7840	3.0338	4.7993	1.7656	4.2044	4.2044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	111.262	As1	C2	H8	109.123
As1	C2	H11	109.123	As1	C3	H6	111.262
As1	C3	H9	109.123	As1	C3	H12	109.123
As1	C4	H7	111.262	As1	C4	H10	109.123
As1	C4	H13	109.123	C2	As1	C3	96.671
C2	As1	C4	96.671	C3	As1	C4	96.671
H5	C2	H8	109.624	H5	C2	H11	109.624
H6	C3	H9	109.624	H6	C3	H12	109.624
H7	C4	H10	109.624	H7	C4	H13	109.624
H8	C2	H11	108.021	H9	C3	H12	108.021
H10	C4	H13	108.021

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

using model chemistry: B1B95/6-31G*

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	0.287
2	C	-0.628
3	C	-0.628
4	C	-0.628
5	H	0.173
6	H	0.173
7	H	0.173
8	H	0.180
9	H	0.180
10	H	0.180
11	H	0.180
12	H	0.180
13	H	0.180

	x	y	z
x	9.214	0.000	0.000
y	0.000	9.215	0.001
z	0.000	0.001	7.699

<r²>	137.644
(<r²>)^1/2	11.732

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

using model chemistry: B1B95/6-31G*

States and conformations

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