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	hartrees
Energy at 0K	-2353.443279
Energy at 298.15K	-2353.450551
Nuclear repulsion energy	291.092899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3164	3027	31.40
2	A₁	3063	2931	16.40
3	A₁	1529	1463	6.26
4	A₁	1334	1276	3.37
5	A₁	917	877	40.43
6	A₁	571	546	1.72
7	A₁	258	247	0.36
8	A₂	3165	3028	0.00
9	A₂	1492	1428	0.00
10	A₂	779	746	0.00
11	A₂	171	163	0.00
12	E	3165	3028	15.11
12	E	3165	3028	15.11
13	E	3164	3027	3.07
13	E	3164	3027	3.07
14	E	3065	2932	17.63
14	E	3065	2932	17.64
15	E	1509	1444	10.73
15	E	1509	1444	10.73
16	E	1501	1436	2.52
16	E	1501	1436	2.52
17	E	1306	1249	0.96
17	E	1306	1249	0.96
18	E	928	888	19.69
18	E	928	888	19.69
19	E	795	760	0.72
19	E	795	760	0.72
20	E	587	562	14.04
20	E	587	562	14.04
21	E	234	224	0.10
21	E	234	224	0.10
22	E	211	202	0.00
22	E	211	202	0.00

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.469
C2	0.000	1.698	-0.516
C3	1.471	-0.849	-0.516
C4	-1.471	-0.849	-0.516
H5	0.000	1.535	-1.598
H6	1.329	-0.767	-1.598
H7	-1.329	-0.767	-1.598
H8	-0.885	2.274	-0.231
H9	2.412	-0.371	-0.231
H10	-1.527	-1.904	-0.231
H11	0.885	2.274	-0.231
H12	1.527	-1.904	-0.231
H13	-2.412	-0.371	-0.231

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		1.9628	1.9628	1.9628	2.5743	2.5743	2.5743	2.5388	2.5388	2.5388	2.5388	2.5388	2.5388
C2	1.9628		2.9411	2.9411	1.0943	3.0028	3.0028	1.0938	3.1905	3.9224	1.0938	3.9224	3.1905
C3	1.9628	2.9411		2.9411	3.0028	1.0943	3.0028	3.9224	1.0938	3.1905	3.1905	1.0938	3.9224
C4	1.9628	2.9411	2.9411		3.0028	3.0028	1.0943	3.1905	3.9224	1.0938	3.9224	3.1905	1.0938
H5	2.5743	1.0943	3.0028	3.0028		2.6586	2.6586	1.7884	3.3642	4.0030	1.7884	4.0030	3.3642
H6	2.5743	3.0028	1.0943	3.0028	2.6586		2.6586	4.0030	1.7884	3.3642	3.3642	1.7884	4.0030
H7	2.5743	3.0028	3.0028	1.0943	2.6586	2.6586		3.3642	4.0030	1.7884	4.0030	3.3642	1.7884
H8	2.5388	1.0938	3.9224	3.1905	1.7884	4.0030	3.3642		4.2269	4.2270	1.7701	4.8242	3.0542
H9	2.5388	3.1905	1.0938	3.9224	3.3642	1.7884	4.0030	4.2269		4.2270	3.0542	1.7701	4.8242
H10	2.5388	3.9224	3.1905	1.0938	4.0030	3.3642	1.7884	4.2270	4.2270		4.8242	3.0542	1.7701
H11	2.5388	1.0938	3.1905	3.9224	1.7884	3.3642	4.0030	1.7701	3.0542	4.8242		4.2270	4.2269
H12	2.5388	3.9224	1.0938	3.1905	4.0030	1.7884	3.3642	4.8242	1.7701	3.0542	4.2270		4.2270
H13	2.5388	3.1905	3.9224	1.0938	3.3642	4.0030	1.7884	3.0542	4.8242	1.7701	4.2269	4.2270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	111.532	As1	C2	H8	108.975
As1	C2	H11	108.975	As1	C3	H6	111.532
As1	C3	H9	108.975	As1	C3	H12	108.975
As1	C4	H7	111.532	As1	C4	H10	108.975
As1	C4	H13	108.975	C2	As1	C3	97.042
C2	As1	C4	97.042	C3	As1	C4	97.042
H5	C2	H8	109.633	H5	C2	H11	109.633
H6	C3	H9	109.633	H6	C3	H12	109.633
H7	C4	H10	109.633	H7	C4	H13	109.633
H8	C2	H11	108.020	H9	C3	H12	108.020
H10	C4	H13	108.020

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

using model chemistry: B3PW91/6-31G*

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	0.312
2	C	-0.650
3	C	-0.650
4	C	-0.650
5	H	0.178
6	H	0.178
7	H	0.178
8	H	0.184
9	H	0.184
10	H	0.184
11	H	0.184
12	H	0.184
13	H	0.184

	x	y	z
x	9.297	0.000	0.000
y	0.000	9.296	0.001
z	0.000	0.001	7.759

<r²>	139.039
(<r²>)^1/2	11.791

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

using model chemistry: B3PW91/6-31G*

States and conformations

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