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	hartrees
Energy at 0K	-27.673596
Energy at 298.15K	-27.680902
Nuclear repulsion energy	68.982582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3304	2978	98.20
2	A₁	3198	2882	46.25
3	A₁	1613	1454	20.49
4	A₁	1468	1323	3.45
5	A₁	1031	930	65.46
6	A₁	583	525	2.55
7	A₁	244	220	1.83
8	A₂	3306	2980	0.00
9	A₂	1592	1435	0.00
10	A₂	860	775	0.00
11	A₂	150	135	0.00
12	E	3307	2981	57.28
12	E	3307	2981	57.28
13	E	3301	2975	11.27
13	E	3301	2975	11.27
14	E	3195	2880	75.22
14	E	3195	2880	75.22
15	E	1605	1446	14.87
15	E	1605	1446	14.87
16	E	1599	1441	5.89
16	E	1599	1441	5.89
17	E	1442	1300	4.84
17	E	1442	1300	4.84
18	E	1020	919	23.30
18	E	1020	919	23.30
19	E	900	811	0.08
19	E	900	811	0.08
20	E	611	551	16.09
20	E	611	551	16.09
21	E	223	201	0.47
21	E	223	201	0.47
22	E	171	154	0.02
22	E	171	154	0.02

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.462
C2	0.000	1.733	-0.509
C3	1.501	-0.867	-0.509
C4	-1.501	-0.867	-0.509
H5	0.000	1.588	-1.589
H6	1.375	-0.794	-1.589
H7	-1.375	-0.794	-1.589
H8	-0.883	2.303	-0.224
H9	2.436	-0.386	-0.224
H10	-1.553	-1.917	-0.224
H11	0.883	2.303	-0.224
H12	1.553	-1.917	-0.224
H13	-2.436	-0.386	-0.224

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		1.9867	1.9867	1.9867	2.5943	2.5943	2.5943	2.5604	2.5604	2.5604	2.5604	2.5604	2.5604
C2	1.9867		3.0020	3.0020	1.0901	3.0733	3.0733	1.0893	3.2419	3.9767	1.0893	3.9767	3.2419
C3	1.9867	3.0020		3.0020	3.0733	1.0901	3.0733	3.9767	1.0893	3.2419	3.2419	1.0893	3.9767
C4	1.9867	3.0020	3.0020		3.0733	3.0733	1.0901	3.2419	3.9767	1.0893	3.9767	3.2419	1.0893
H5	2.5943	1.0901	3.0733	3.0733		2.7506	2.7506	1.7766	3.4203	4.0693	1.7766	4.0693	3.4203
H6	2.5943	3.0733	1.0901	3.0733	2.7506		2.7506	4.0693	1.7766	3.4203	3.4203	1.7766	4.0693
H7	2.5943	3.0733	3.0733	1.0901	2.7506	2.7506		3.4203	4.0693	1.7766	4.0693	3.4203	1.7766
H8	2.5604	1.0893	3.9767	3.2419	1.7766	4.0693	3.4203		4.2726	4.2726	1.7670	4.8726	3.1056
H9	2.5604	3.2419	1.0893	3.9767	3.4203	1.7766	4.0693	4.2726		4.2725	3.1056	1.7670	4.8726
H10	2.5604	3.9767	3.2419	1.0893	4.0693	3.4203	1.7766	4.2726	4.2725		4.8726	3.1056	1.7670
H11	2.5604	1.0893	3.2419	3.9767	1.7766	3.4203	4.0693	1.7670	3.1056	4.8726		4.2726	4.2726
H12	2.5604	3.9767	1.0893	3.2419	4.0693	1.7766	3.4203	4.8726	1.7670	3.1056	4.2726		4.2725
H13	2.5604	3.2419	3.9767	1.0893	3.4203	4.0693	1.7766	3.1056	4.8726	1.7670	4.2726	4.2725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	111.611	As1	C2	H8	109.180
As1	C2	H11	109.180	As1	C3	H6	111.611
As1	C3	H9	109.180	As1	C3	H12	109.180
As1	C4	H7	111.611	As1	C4	H10	109.180
As1	C4	H13	109.180	C2	As1	C3	98.141
C2	As1	C4	98.141	C3	As1	C4	98.141
H5	C2	H8	109.209	H5	C2	H11	109.209
H6	C3	H9	109.209	H6	C3	H12	109.209
H7	C4	H10	109.209	H7	C4	H13	109.209
H8	C2	H11	108.394	H9	C3	H12	108.394
H10	C4	H13	108.394

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

using model chemistry: HF/CEP-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	0.437
2	C	-0.572
3	C	-0.572
4	C	-0.572
5	H	0.132
6	H	0.132
7	H	0.132
8	H	0.147
9	H	0.147
10	H	0.147
11	H	0.147
12	H	0.147
13	H	0.147

<r²>	114.856
(<r²>)^1/2	10.717

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

using model chemistry: HF/CEP-31G

States and conformations

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