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	hartrees
Energy at 0K	-270.829467
Energy at 298.15K	-270.840478
HF Energy	-270.075497
Nuclear repulsion energy	241.175378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3246	3016	22.94
2	A	3238	3008	28.17
3	A	3230	3001	45.15
4	A	3219	2990	41.07
5	A	3177	2952	23.59
6	A	3162	2938	13.30
7	A	3148	2925	20.54
8	A	3138	2916	38.60
9	A	3115	2894	21.30
10	A	3040	2825	105.01
11	A	1941	1804	185.35
12	A	1596	1483	3.49
13	A	1590	1477	13.43
14	A	1581	1469	6.83
15	A	1579	1467	9.65
16	A	1571	1459	1.23
17	A	1519	1411	11.74
18	A	1506	1399	4.61
19	A	1494	1388	3.17
20	A	1468	1364	1.60
21	A	1447	1345	4.01
22	A	1391	1293	1.85
23	A	1354	1258	0.24
24	A	1263	1174	1.23
25	A	1234	1147	4.13
26	A	1185	1101	4.68
27	A	1106	1028	0.03
28	A	1073	997	10.50
29	A	1031	957	6.64
30	A	993	922	2.26
31	A	960	892	13.51
32	A	833	774	6.27
33	A	816	758	2.75
34	A	697	648	11.22
35	A	427	397	0.76
36	A	406	378	0.83
37	A	315	293	5.06
38	A	273	253	1.19
39	A	250	232	3.10
40	A	215	200	0.31
41	A	98	91	2.95
42	A	79	74	5.04

Atom	x (Å)	y (Å)	z (Å)
C1	-1.377	-0.687	0.219
C2	-0.087	0.077	0.410
C3	1.042	-0.695	-0.287
C4	2.433	-0.142	-0.005
C5	-0.222	1.521	-0.046
O6	-2.371	-0.247	-0.272
H7	-1.351	-1.735	0.566
H8	0.114	0.049	1.486
H9	1.006	-1.738	0.027
H10	0.857	-0.693	-1.362
H11	3.195	-0.771	-0.459
H12	2.560	0.860	-0.403
H13	2.630	-0.105	1.065
H14	-0.368	1.573	-1.122
H15	-1.079	1.995	0.420
H16	0.663	2.098	0.208

	C1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5107	2.4709	3.8553	2.5056	1.1926	1.1040	2.0903	2.6113	2.7368	4.6227	4.2749	4.1361	2.8139	2.7058	3.4515
C2	1.5107		1.5349	2.5639	1.5204	2.4050	2.2141	1.0950	2.1528	2.1506	3.4998	2.8777	2.8006	2.1596	2.1599	2.1652
C3	2.4709	1.5349		1.5235	2.5617	3.4418	2.7453	2.1355	1.0905	1.0907	2.1617	2.1759	2.1676	2.7973	3.4977	2.8609
C4	3.8553	2.5639	1.5235		3.1332	4.8127	4.1454	2.7644	2.1412	2.1517	1.0871	1.0861	1.0884	3.4697	4.1339	2.8633
C5	2.5056	1.5204	2.5617	3.1332		2.7918	3.4996	2.1507	3.4832	2.7921	4.1350	2.8809	3.4649	1.0871	1.0853	1.0857
O6	1.1926	2.4050	3.4418	4.8127	2.7918		1.9886	3.0578	3.7035	3.4362	5.5938	5.0549	5.1781	2.8357	2.6781	3.8636
H7	1.1040	2.2141	2.7453	4.1454	3.4996	1.9886		2.4848	2.4180	3.1114	4.7592	4.7924	4.3306	3.8406	3.7422	4.3439
H8	2.0903	1.0950	2.1355	2.7644	2.1507	3.0578	2.4848		2.4737	3.0360	3.7354	3.1953	2.5558	3.0586	2.5192	2.4766
H9	2.6113	2.1528	1.0905	2.1412	3.4832	3.7035	2.4180	2.4737		1.7453	2.4422	3.0578	2.5263	3.7643	4.2941	3.8553
H10	2.7368	2.1506	1.0907	2.1517	2.7921	3.4362	3.1114	3.0360	1.7453		2.5078	2.4961	3.0626	2.5867	3.7618	3.2074
H11	4.6227	3.4998	2.1617	1.0871	4.1350	5.5938	4.7592	3.7354	2.4422	2.5078		1.7517	1.7567	4.3166	5.1669	3.8843
H12	4.2749	2.8777	2.1759	1.0861	2.8809	5.0549	4.7924	3.1953	3.0578	2.4961	1.7517		1.7579	3.0982	3.8998	2.3457
H13	4.1361	2.8006	2.1676	1.0884	3.4649	5.1781	4.3306	2.5558	2.5263	3.0626	1.7567	1.7579		4.0723	4.3107	3.0749
H14	2.8139	2.1596	2.7973	3.4697	1.0871	2.8357	3.8406	3.0586	3.7643	2.5867	4.3166	3.0982	4.0723		1.7497	1.7622
H15	2.7058	2.1599	3.4977	4.1339	1.0853	2.6781	3.7422	2.5192	4.2941	3.7618	5.1669	3.8998	4.3107	1.7497		1.7580
H16	3.4515	2.1652	2.8609	2.8633	1.0857	3.8636	4.3439	2.4766	3.8553	3.2074	3.8843	2.3457	3.0749	1.7622	1.7580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.445	C1	C2	C5	111.504
C1	C2	H8	105.568	C2	C1	O6	125.243
C2	C1	H7	114.837	C2	C3	C4	113.925
C2	C3	H9	108.994	C2	C3	H10	108.812
C2	C5	H14	110.730	C2	C5	H15	110.863
C2	C5	H16	111.271	C3	C2	C5	113.951
C3	C2	H8	107.405	C3	C4	H11	110.680
C3	C4	H12	111.892	C3	C4	H13	111.076
C4	C3	H9	108.864	C4	C3	H10	109.675
C5	C2	H8	109.555	O6	C1	H7	119.918
H9	C3	H10	106.292	H11	C4	H12	107.424
H11	C4	H13	107.704	H12	C4	H13	107.882
H14	C5	H15	107.298	H14	C5	H16	108.396
H15	C5	H16	108.142

All results from a given calculation for C₅H₁₀O (2-methylbutyraldehyde)

using model chemistry: CID/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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All results from a given calculation for C5H10O (2-methylbutyraldehyde)

using model chemistry: CID/6-311G*

States and conformations

All results from a given calculation for C₅H₁₀O (2-methylbutyraldehyde)