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	hartrees
Energy at 0K	-270.980240
Energy at 298.15K	-270.991110
HF Energy	-270.034492
Nuclear repulsion energy	240.043996

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3223	3022	19.27
2	A	3215	3014	24.08
3	A	3208	3008	34.74
4	A	3199	2999	33.82
5	A	3147	2951	22.59
6	A	3130	2935	13.10
7	A	3118	2923	20.03
8	A	3102	2908	30.44
9	A	3073	2882	17.83
10	A	2998	2811	100.41
11	A	1871	1754	113.76
12	A	1571	1473	2.36
13	A	1566	1468	6.37
14	A	1559	1461	3.97
15	A	1556	1459	6.00
16	A	1547	1450	0.68
17	A	1488	1395	6.62
18	A	1478	1385	1.73
19	A	1464	1373	4.33
20	A	1436	1347	3.47
21	A	1416	1328	2.01
22	A	1358	1273	0.97
23	A	1327	1244	0.36
24	A	1240	1163	1.26
25	A	1207	1132	4.25
26	A	1157	1085	2.75
27	A	1085	1017	0.05
28	A	1052	987	9.42
29	A	1007	944	4.52
30	A	964	904	4.18
31	A	943	884	10.50
32	A	818	767	5.62
33	A	801	751	2.02
34	A	674	632	9.69
35	A	415	389	0.61
36	A	397	372	0.60
37	A	306	287	4.72
38	A	266	249	0.75
39	A	243	228	3.00
40	A	211	198	0.40
41	A	95	89	2.23
42	A	73	69	4.41

Atom	x (Å)	y (Å)	z (Å)
C1	-1.373	-0.701	0.213
C2	-0.083	0.071	0.404
C3	1.056	-0.687	-0.301
C4	2.447	-0.136	0.008
C5	-0.233	1.520	-0.049
O6	-2.394	-0.242	-0.255
H7	-1.333	-1.760	0.533
H8	0.123	0.042	1.482
H9	1.017	-1.740	-0.004
H10	0.879	-0.662	-1.380
H11	3.216	-0.747	-0.466
H12	2.565	0.884	-0.356
H13	2.633	-0.135	1.083
H14	-0.398	1.566	-1.125
H15	-1.088	1.987	0.436
H16	0.657	2.099	0.191

	C1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5155	2.4829	3.8675	2.5107	1.2133	1.1065	2.0983	2.6149	2.7589	4.6390	4.2830	4.1387	2.8079	2.7124	3.4595
C2	1.5155		1.5392	2.5699	1.5251	2.4228	2.2205	1.0987	2.1577	2.1553	3.5085	2.8723	2.8079	2.1613	2.1635	2.1697
C3	2.4829	1.5392		1.5279	2.5683	3.4786	2.7479	2.1403	1.0941	1.0941	2.1669	2.1790	2.1696	2.8055	3.5058	2.8575
C4	3.8675	2.5699	1.5279		3.1511	4.8493	4.1474	2.7582	2.1486	2.1592	1.0899	1.0893	1.0912	3.5038	4.1462	2.8698
C5	2.5107	1.5251	2.5683	3.1511		2.7959	3.5080	2.1574	3.4912	2.7878	4.1482	2.8854	3.4976	1.0901	1.0884	1.0887
O6	1.2133	2.4228	3.4786	4.8493	2.7959		2.0127	3.0716	3.7335	3.4860	5.6361	5.0858	5.2032	2.8302	2.6738	3.8717
H7	1.1065	2.2205	2.7479	4.1474	3.5080	2.0127		2.5039	2.4103	3.1232	4.7655	4.7927	4.3212	3.8322	3.7560	4.3557
H8	2.0983	1.0987	2.1403	2.7582	2.1574	3.0716	2.5039		2.4865	3.0431	3.7392	3.1699	2.5478	3.0648	2.5188	2.4870
H9	2.6149	2.1577	1.0941	2.1486	3.4912	3.7335	2.4103	2.4865		1.7528	2.4560	3.0663	2.5237	3.7665	4.3025	3.8607
H10	2.7589	2.1553	1.0941	2.1592	2.7878	3.4860	3.1232	3.0431	1.7528		2.5107	2.5065	3.0695	2.5811	3.7664	3.1850
H11	4.6390	3.5085	2.1669	1.0899	4.1482	5.6361	4.7655	3.7392	2.4560	2.5107		1.7598	1.7642	4.3411	5.1781	3.8834
H12	4.2830	2.8723	2.1790	1.0893	2.8854	5.0858	4.7927	3.1699	3.0663	2.5065	1.7598		1.7641	3.1361	3.8972	2.3270
H13	4.1387	2.8079	2.1696	1.0912	3.4976	5.2032	4.3212	2.5478	2.5237	3.0695	1.7642	1.7641		4.1178	4.3325	3.1132
H14	2.8079	2.1613	2.8055	3.5038	1.0901	2.8302	3.8322	3.0648	3.7665	2.5811	4.3411	3.1361	4.1178		1.7580	1.7691
H15	2.7124	2.1635	3.5058	4.1462	1.0884	2.6738	3.7560	2.5188	4.3025	3.7664	5.1781	3.8972	4.3325	1.7580		1.7664
H16	3.4595	2.1697	2.8575	2.8698	1.0887	3.8717	4.3557	2.4870	3.8607	3.1850	3.8834	2.3270	3.1132	1.7691	1.7664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.741	C1	C2	C5	111.326
C1	C2	H8	105.663	C2	C1	O6	124.847
C2	C1	H7	114.855	C2	C3	C4	113.836
C2	C3	H9	108.877	C2	C3	H10	108.693
C2	C5	H14	110.360	C2	C5	H15	110.637
C2	C5	H16	111.116	C3	C2	C5	113.885
C3	C2	H8	107.279	C3	C4	H11	110.624
C3	C4	H12	111.632	C3	C4	H13	110.761
C4	C3	H9	108.941	C4	C3	H10	109.770
C5	C2	H8	109.549	O6	C1	H7	120.297
H9	C3	H10	106.461	H11	C4	H12	107.711
H11	C4	H13	107.966	H12	C4	H13	108.005
H14	C5	H15	107.603	H14	C5	H16	108.568
H15	C5	H16	108.453

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

using model chemistry: CCD/6-31G**

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: CCD/6-31G**

States and conformations

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