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	hartrees
Energy at 0K	-2355.579283
Energy at 298.15K	-2355.586331
Nuclear repulsion energy	289.383485

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3132	3015	39.16
2	A₁	3040	2927	21.01
3	A₁	1498	1442	11.90
4	A₁	1321	1272	4.29
5	A₁	919	885	41.00
6	A₁	568	546	2.09
7	A₁	235	226	0.74
8	A₂	3135	3018	0.00
9	A₂	1469	1414	0.00
10	A₂	773	744	0.00
11	A₂	149	143	0.00
12	E	3136	3019	17.73
12	E	3136	3019	17.73
13	E	3132	3015	4.52
13	E	3132	3015	4.52
14	E	3042	2928	23.12
14	E	3042	2928	23.13
15	E	1485	1429	13.43
15	E	1485	1429	13.42
16	E	1477	1422	4.26
16	E	1477	1422	4.26
17	E	1294	1246	2.37
17	E	1294	1246	2.37
18	E	916	881	17.66
18	E	916	881	17.66
19	E	805	775	1.18
19	E	805	775	1.18
20	E	583	561	15.32
20	E	583	561	15.32
21	E	212	205	0.21
21	E	212	205	0.21
22	E	173	166	0.00
22	E	173	166	0.00

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.471
C2	0.000	1.711	-0.517
C3	1.482	-0.855	-0.517
C4	-1.482	-0.855	-0.517
H5	0.000	1.555	-1.599
H6	1.347	-0.777	-1.599
H7	-1.347	-0.777	-1.599
H8	-0.884	2.290	-0.241
H9	2.425	-0.380	-0.241
H10	-1.541	-1.910	-0.241
H11	0.884	2.290	-0.241
H12	1.541	-1.910	-0.241
H13	-2.425	-0.380	-0.241

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		1.9759	1.9759	1.9759	2.5893	2.5893	2.5893	2.5559	2.5559	2.5559	2.5559	2.5559	2.5559
C2	1.9759		2.9631	2.9631	1.0928	3.0289	3.0289	1.0923	3.2135	3.9452	1.0923	3.9452	3.2135
C3	1.9759	2.9631		2.9631	3.0289	1.0928	3.0289	3.9452	1.0923	3.2135	3.2135	1.0923	3.9452
C4	1.9759	2.9631	2.9631		3.0289	3.0289	1.0928	3.2135	3.9452	1.0923	3.9452	3.2135	1.0923
H5	2.5893	1.0928	3.0289	3.0289		2.6931	2.6931	1.7792	3.3863	4.0284	1.7792	4.0284	3.3863
H6	2.5893	3.0289	1.0928	3.0289	2.6931		2.6931	4.0284	1.7792	3.3863	3.3863	1.7792	4.0284
H7	2.5893	3.0289	3.0289	1.0928	2.6931	2.6931		3.3863	4.0284	1.7792	4.0284	3.3863	1.7792
H8	2.5559	1.0923	3.9452	3.2135	1.7792	4.0284	3.3863		4.2515	4.2515	1.7677	4.8502	3.0825
H9	2.5559	3.2135	1.0923	3.9452	3.3863	1.7792	4.0284	4.2515		4.2515	3.0825	1.7677	4.8502
H10	2.5559	3.9452	3.2135	1.0923	4.0284	3.3863	1.7792	4.2515	4.2515		4.8502	3.0825	1.7677
H11	2.5559	1.0923	3.2135	3.9452	1.7792	3.3863	4.0284	1.7677	3.0825	4.8502		4.2515	4.2515
H12	2.5559	3.9452	1.0923	3.2135	4.0284	1.7792	3.3863	4.8502	1.7677	3.0825	4.2515		4.2515
H13	2.5559	3.2135	3.9452	1.0923	3.3863	4.0284	1.7792	3.0825	4.8502	1.7677	4.2515	4.2515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	111.826	As1	C2	H8	109.422
As1	C2	H11	109.422	As1	C3	H6	111.826
As1	C3	H9	109.422	As1	C3	H12	109.422
As1	C4	H7	111.826	As1	C4	H10	109.422
As1	C4	H13	109.422	C2	As1	C3	97.146
C2	As1	C4	97.146	C3	As1	C4	97.146
H5	C2	H8	109.028	H5	C2	H11	109.028
H6	C3	H9	109.028	H6	C3	H12	109.028
H7	C4	H10	109.028	H7	C4	H13	109.028
H8	C2	H11	108.036	H9	C3	H12	108.036
H10	C4	H13	108.036

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

using model chemistry: B3PW91/6-311G*

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	0.521
2	C	-0.881
3	C	-0.881
4	C	-0.881
5	H	0.230
6	H	0.230
7	H	0.230
8	H	0.239
9	H	0.239
10	H	0.239
11	H	0.239
12	H	0.239
13	H	0.239

	x	y	z
x	10.068	0.000	0.000
y	0.000	10.068	0.001
z	0.000	0.001	8.573

<r²>	141.071
(<r²>)^1/2	11.877

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

using model chemistry: B3PW91/6-311G*

States and conformations

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