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	hartrees
Energy at 0K	-2355.077660
Energy at 298.15K	-2355.084397
Nuclear repulsion energy	286.934853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3068	3049	31.63
2	A₁	2967	2949	21.04
3	A₁	1397	1389	8.05
4	A₁	1218	1211	3.85
5	A₁	856	851	21.43
6	A₁	546	543	2.17
7	A₁	222	221	0.92
8	A₂	3078	3059	0.00
9	A₂	1369	1360	0.00
10	A₂	721	717	0.00
11	A₂	115	114	0.00
12	E	3078	3059	13.00
12	E	3078	3059	13.00
13	E	3069	3050	3.44
13	E	3069	3050	3.44
14	E	2969	2951	19.11
14	E	2969	2951	19.12
15	E	1384	1375	8.68
15	E	1384	1375	8.67
16	E	1377	1368	2.86
16	E	1377	1368	2.85
17	E	1192	1185	0.33
17	E	1192	1185	0.32
18	E	858	852	11.98
18	E	858	852	11.99
19	E	751	747	0.31
19	E	751	747	0.31
20	E	561	557	15.26
20	E	561	557	15.26
21	E	199	198	0.20
21	E	199	198	0.20
22	E	161	160	0.00
22	E	161	160	0.00

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.479
C2	0.000	1.721	-0.526
C3	1.490	-0.860	-0.526
C4	-1.490	-0.860	-0.526
H5	0.000	1.551	-1.619
H6	1.343	-0.775	-1.619
H7	-1.343	-0.775	-1.619
H8	-0.895	2.306	-0.249
H9	2.445	-0.378	-0.249
H10	-1.549	-1.928	-0.249
H11	0.895	2.306	-0.249
H12	1.549	-1.928	-0.249
H13	-2.445	-0.378	-0.249

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		1.9931	1.9931	1.9931	2.6096	2.6096	2.6096	2.5786	2.5786	2.5786	2.5786	2.5786	2.5786
C2	1.9931		2.9804	2.9804	1.1060	3.0381	3.0381	1.1049	3.2336	3.9740	1.1049	3.9740	3.2336
C3	1.9931	2.9804		2.9804	3.0381	1.1060	3.0381	3.9740	1.1049	3.2336	3.2336	1.1049	3.9740
C4	1.9931	2.9804	2.9804		3.0381	3.0381	1.1060	3.2336	3.9740	1.1049	3.9740	3.2336	1.1049
H5	2.6096	1.1060	3.0381	3.0381		2.6864	2.6864	1.8025	3.4020	4.0477	1.8025	4.0477	3.4020
H6	2.6096	3.0381	1.1060	3.0381	2.6864		2.6864	4.0477	1.8025	3.4020	3.4020	1.8025	4.0477
H7	2.6096	3.0381	3.0381	1.1060	2.6864	2.6864		3.4020	4.0477	1.8025	4.0477	3.4020	1.8025
H8	2.5786	1.1049	3.9740	3.2336	1.8025	4.0477	3.4020		4.2844	4.2844	1.7906	4.8892	3.0987
H9	2.5786	3.2336	1.1049	3.9740	3.4020	1.8025	4.0477	4.2844		4.2844	3.0987	1.7906	4.8892
H10	2.5786	3.9740	3.2336	1.1049	4.0477	3.4020	1.8025	4.2844	4.2844		4.8892	3.0987	1.7906
H11	2.5786	1.1049	3.2336	3.9740	1.8025	3.4020	4.0477	1.7906	3.0987	4.8892		4.2844	4.2844
H12	2.5786	3.9740	1.1049	3.2336	4.0477	1.8025	3.4020	4.8892	1.7906	3.0987	4.2844		4.2844
H13	2.5786	3.2336	3.9740	1.1049	3.4020	4.0477	1.8025	3.0987	4.8892	1.7906	4.2844	4.2844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	111.476	As1	C2	H8	109.300
As1	C2	H11	109.300	As1	C3	H6	111.476
As1	C3	H9	109.300	As1	C3	H12	109.300
As1	C4	H7	111.476	As1	C4	H10	109.300
As1	C4	H13	109.300	C2	As1	C3	96.779
C2	As1	C4	96.779	C3	As1	C4	96.779
H5	C2	H8	109.231	H5	C2	H11	109.231
H6	C3	H9	109.231	H6	C3	H12	109.231
H7	C4	H10	109.231	H7	C4	H13	109.231
H8	C2	H11	108.241	H9	C3	H12	108.241
H10	C4	H13	108.241

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

using model chemistry: PBEPBE/aug-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	0.821
2	C	0.596
3	C	0.596
4	C	0.596
5	H	-0.245
6	H	-0.245
7	H	-0.245
8	H	-0.312
9	H	-0.312
10	H	-0.312
11	H	-0.312
12	H	-0.312
13	H	-0.312

	x	y	z
x	12.086	0.000	0.000
y	0.000	12.085	0.001
z	0.000	0.001	10.643

<r²>	143.230
(<r²>)^1/2	11.968

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

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

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