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	hartrees
Energy at 0K	-233.234054
Energy at 298.15K	-233.226367
Nuclear repulsion energy	200.193537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4099	4099	19.85
2	A	3278	3278	54.16
3	A	3276	3276	84.56
4	A	3267	3267	7.12
5	A	3265	3265	2.81
6	A	3249	3249	79.09
7	A	3240	3240	5.31
8	A	3198	3198	7.70
9	A	3183	3183	49.70
10	A	3176	3176	20.31
11	A	1655	1655	4.39
12	A	1643	1643	4.16
13	A	1635	1635	1.11
14	A	1622	1622	0.02
15	A	1621	1621	0.04
16	A	1610	1610	0.00
17	A	1568	1568	3.57
18	A	1553	1553	27.60
19	A	1543	1543	11.80
20	A	1487	1487	47.53
21	A	1375	1375	70.41
22	A	1374	1374	26.47
23	A	1267	1267	59.39
24	A	1139	1139	3.02
25	A	1120	1120	17.54
26	A	1040	1040	0.00
27	A	1038	1038	36.04
28	A	1001	1001	0.05
29	A	988	988	0.08
30	A	797	797	2.42
31	A	499	499	14.09
32	A	493	493	10.69
33	A	443	443	0.47
34	A	366	366	33.65
35	A	362	362	1.53
36	A	345	345	111.65
37	A	295	295	0.07
38	A	288	288	2.19
39	A	227	227	2.44

Atom	x (Å)	y (Å)	z (Å)
C1	-0.005	0.000	0.019
H2	1.736	1.280	-0.210
H3	0.207	2.150	-0.103
H4	0.650	1.311	-1.593
C5	0.687	1.261	-0.507
H6	-1.975	0.879	0.058
H7	-1.974	-0.881	0.058
H8	-1.617	-0.001	-1.432
C9	-1.485	-0.001	-0.352
H10	0.210	-2.150	-0.103
H11	1.737	-1.278	-0.210
H12	0.652	-1.311	-1.593
C13	0.688	-1.261	-0.507
H14	0.912	0.001	1.738
O15	0.019	0.000	1.433

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	H12	C13	H14	O15
C1		2.1735	2.1640	2.1791	1.5319	2.1573	2.1573	2.1688	1.5256	2.1639	2.1736	2.1792	1.5319	1.9483	1.4137
H2	2.1735		1.7620	1.7581	1.0904	3.7426	4.3021	3.7918	3.4695	3.7558	2.5587	3.1308	2.7646	2.4726	2.6993
H3	2.1640	1.7620		1.7659	1.0872	2.5311	3.7378	3.1177	2.7481	4.2997	3.7558	3.7939	3.4680	2.9168	2.6490
H4	2.1791	1.7581	1.7659		1.0880	3.1315	3.7972	2.6249	2.7969	3.7938	3.1304	2.6222	2.7923	3.5893	3.3575
C5	1.5319	1.0904	1.0872	1.0880		2.7480	3.4625	2.7853	2.5168	3.4679	2.7645	2.7925	2.5222	2.5845	2.4079
H6	2.1573	3.7426	2.5311	3.1315	2.7480		1.7594	1.7663	1.0868	3.7378	4.3022	3.7972	3.4625	3.4540	2.5769
H7	2.1573	4.3021	3.7378	3.7972	3.4625	1.7594		1.7663	1.0868	2.5311	3.7426	3.1311	2.7479	3.4541	2.5770
H8	2.1688	3.7918	3.1177	2.6249	2.7853	1.7663	1.7663		1.0880	3.1180	3.7919	2.6250	2.7854	4.0553	3.2990
C9	1.5256	3.4695	2.7481	2.7969	2.5168	1.0868	1.0868	1.0880		2.7482	3.4695	2.7968	2.5169	3.1802	2.3341
H10	2.1639	3.7558	4.2997	3.7938	3.4679	3.7378	2.5311	3.1180	2.7482		1.7620	1.7659	1.0872	2.9166	2.6489
H11	2.1736	2.5587	3.7558	3.1304	2.7645	4.3022	3.7426	3.7919	3.4695	1.7620		1.7581	1.0904	2.4728	2.6994
H12	2.1792	3.1308	3.7939	2.6222	2.7925	3.7972	3.1311	2.6250	2.7968	1.7659	1.7581		1.0880	3.5893	3.3575
C13	1.5319	2.7646	3.4680	2.7923	2.5222	3.4625	2.7479	2.7854	2.5169	1.0872	1.0904	1.0880		2.5846	2.4079
H14	1.9483	2.4726	2.9168	3.5893	2.5845	3.4540	3.4541	4.0553	3.1802	2.9166	2.4728	3.5893	2.5846		0.9434
O15	1.4137	2.6993	2.6490	3.3575	2.4079	2.5769	2.5770	3.2990	2.3341	2.6489	2.6994	3.3575	2.4079	0.9434

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H2	110.837	C1	C5	H3	110.269
C1	C5	H4	111.431	C1	C9	H6	110.202
C1	C9	H7	110.202	C1	C9	H8	111.055
C1	C13	H10	110.265	C1	C13	H11	110.838
C1	C13	H12	111.432	C1	O15	H14	109.888
H2	C5	H3	108.019	H2	C5	H4	107.619
H3	C5	H4	108.550	C5	C1	C9	110.804
C5	C1	C13	110.813	C5	C1	O15	109.593
H6	C9	H7	108.072	H6	C9	H8	108.617
H7	C9	H8	108.617	C9	C1	C13	110.805
C9	C1	O15	105.072	H10	C13	H11	108.019
H10	C13	H12	108.550	H11	C13	H12	107.619
C13	C1	O15	109.593

All results from a given calculation for C₄H₁₀O (Ethanol, 1,1-dimethyl-)

using model chemistry: CBS-Q

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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All results from a given calculation for C4H10O (Ethanol, 1,1-dimethyl-)

using model chemistry: CBS-Q

States and conformations

All results from a given calculation for C₄H₁₀O (Ethanol, 1,1-dimethyl-)