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	hartrees
Energy at 0K	-2353.516649
Energy at 298.15K	-2353.523864
HF Energy	-2353.516649
Nuclear repulsion energy	291.558865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3158	3008	34.21
2	A₁	3061	2915	27.98
3	A₁	1496	1425	12.87
4	A₁	1332	1269	6.91
5	A₁	931	886	32.74
6	A₁	586	558	2.43
7	A₁	249	237	1.52
8	A₂	3169	3019	0.00
9	A₂	1469	1399	0.00
10	A₂	781	744	0.00
11	A₂	154	147	0.00
12	E	3170	3020	15.01
12	E	3170	3020	15.02
13	E	3158	3009	5.69
13	E	3158	3009	5.66
14	E	3063	2918	24.73
14	E	3063	2918	24.75
15	E	1484	1414	15.24
15	E	1484	1414	15.23
16	E	1477	1407	4.39
16	E	1477	1407	4.37
17	E	1306	1244	3.97
17	E	1306	1244	3.92
18	E	927	883	14.17
18	E	927	883	14.22
19	E	820	781	0.27
19	E	820	781	0.28
20	E	596	568	16.89
20	E	596	568	16.90
21	E	225	214	0.29
21	E	225	214	0.30
22	E	184	175	0.02
22	E	184	175	0.02

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.470
C2	0.000	1.696	-0.515
C3	1.469	-0.848	-0.515
C4	-1.469	-0.848	-0.515
H5	0.000	1.524	-1.595
H6	1.320	-0.762	-1.595
H7	-1.320	-0.762	-1.595
H8	-0.886	2.277	-0.243
H9	2.415	-0.372	-0.243
H10	-1.529	-1.905	-0.243
H11	0.886	2.277	-0.243
H12	1.529	-1.905	-0.243
H13	-2.415	-0.372	-0.243

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		1.9613	1.9613	1.9613	2.5661	2.5661	2.5661	2.5452	2.5452	2.5452	2.5452	2.5452	2.5452
C2	1.9613		2.9381	2.9381	1.0939	2.9920	2.9920	1.0932	3.1908	3.9223	1.0932	3.9223	3.1908
C3	1.9613	2.9381		2.9381	2.9920	1.0939	2.9920	3.9223	1.0932	3.1908	3.1908	1.0932	3.9223
C4	1.9613	2.9381	2.9381		2.9920	2.9920	1.0939	3.1908	3.9223	1.0932	3.9223	3.1908	1.0932
H5	2.5661	1.0939	2.9920	2.9920		2.6396	2.6396	1.7826	3.3542	3.9907	1.7826	3.9907	3.3542
H6	2.5661	2.9920	1.0939	2.9920	2.6396		2.6396	3.9907	1.7826	3.3542	3.3542	1.7826	3.9907
H7	2.5661	2.9920	2.9920	1.0939	2.6396	2.6396		3.3542	3.9907	1.7826	3.9907	3.3542	1.7826
H8	2.5452	1.0932	3.9223	3.1908	1.7826	3.9907	3.3542		4.2318	4.2318	1.7711	4.8296	3.0585
H9	2.5452	3.1908	1.0932	3.9223	3.3542	1.7826	3.9907	4.2318		4.2318	3.0585	1.7711	4.8296
H10	2.5452	3.9223	3.1908	1.0932	3.9907	3.3542	1.7826	4.2318	4.2318		4.8296	3.0585	1.7711
H11	2.5452	1.0932	3.1908	3.9223	1.7826	3.3542	3.9907	1.7711	3.0585	4.8296		4.2318	4.2318
H12	2.5452	3.9223	1.0932	3.1908	3.9907	1.7826	3.3542	4.8296	1.7711	3.0585	4.2318		4.2318
H13	2.5452	3.1908	3.9223	1.0932	3.3542	3.9907	1.7826	3.0585	4.8296	1.7711	4.2318	4.2318

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	111.061	As1	C2	H8	109.571
As1	C2	H11	109.571	As1	C3	H6	111.061
As1	C3	H9	109.571	As1	C3	H12	109.571
As1	C4	H7	111.061	As1	C4	H10	109.571
As1	C4	H13	109.571	C2	As1	C3	97.013
C2	As1	C4	97.013	C3	As1	C4	97.013
H5	C2	H8	109.190	H5	C2	H11	109.190
H6	C3	H9	109.190	H6	C3	H12	109.190
H7	C4	H10	109.190	H7	C4	H13	109.190
H8	C2	H11	108.204	H9	C3	H12	108.204
H10	C4	H13	108.204

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

using model chemistry: wB97X-D/cc-pVDZ

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	0.268
2	C	-0.593
3	C	-0.593
4	C	-0.593
5	H	0.164
6	H	0.164
7	H	0.164
8	H	0.170
9	H	0.170
10	H	0.170
11	H	0.170
12	H	0.170
13	H	0.170

	x	y	z
x	10.374	0.000	0.000
y	0.000	10.364	0.004
z	0.000	0.004	9.135

<r²>	139.264
(<r²>)^1/2	11.801

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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