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	hartrees
Energy at 0K	-270.846585
Energy at 298.15K	-270.857445
HF Energy	-270.017118
Nuclear repulsion energy	239.980407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3215	3032	15.42
2	A	3208	3025	16.10
3	A	3203	3021	26.21
4	A	3192	3010	25.25
5	A	3138	2959	18.72
6	A	3118	2940	11.19
7	A	3107	2930	17.83
8	A	3087	2911	23.93
9	A	3056	2882	14.52
10	A	2964	2795	111.51
11	A	1782	1680	95.79
12	A	1573	1484	3.67
13	A	1566	1477	9.51
14	A	1559	1470	6.69
15	A	1557	1468	7.28
16	A	1547	1458	0.77
17	A	1478	1393	8.68
18	A	1472	1388	3.11
19	A	1451	1368	2.33
20	A	1423	1341	5.42
21	A	1405	1325	1.58
22	A	1353	1276	1.90
23	A	1318	1243	0.67
24	A	1237	1166	1.85
25	A	1203	1134	3.35
26	A	1152	1086	3.32
27	A	1086	1024	0.03
28	A	1053	993	11.52
29	A	1007	949	7.78
30	A	962	907	7.65
31	A	942	888	12.05
32	A	818	772	4.89
33	A	803	757	2.59
34	A	676	638	7.95
35	A	419	395	0.77
36	A	394	372	0.54
37	A	307	290	4.78
38	A	270	254	0.51
39	A	245	231	2.99
40	A	213	201	0.41
41	A	97	92	1.96
42	A	74	70	3.90

Atom	x (Å)	y (Å)	z (Å)
C1	-1.372	-0.696	0.223
C2	-0.079	0.073	0.410
C3	1.050	-0.688	-0.301
C4	2.441	-0.137	0.003
C5	-0.229	1.517	-0.047
O6	-2.392	-0.242	-0.265
H7	-1.316	-1.762	0.545
H8	0.136	0.045	1.491
H9	1.010	-1.745	-0.007
H10	0.866	-0.655	-1.383
H11	3.209	-0.750	-0.478
H12	2.557	0.887	-0.360
H13	2.632	-0.140	1.081
H14	-0.408	1.557	-1.125
H15	-1.081	1.990	0.447
H16	0.669	2.096	0.180

	C1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5155	2.4781	3.8604	2.5051	1.2184	1.1151	2.1051	2.6134	2.7555	4.6354	4.2763	4.1329	2.7977	2.7110	3.4588
C2	1.5155		1.5360	2.5621	1.5221	2.4295	2.2170	1.1025	2.1600	2.1540	3.5048	2.8651	2.8016	2.1611	2.1635	2.1694
C3	2.4781	1.5360		1.5269	2.5612	3.4707	2.7328	2.1408	1.0980	1.0975	2.1679	2.1808	2.1713	2.8008	3.5030	2.8503
C4	3.8604	2.5621	1.5269		3.1416	4.8418	4.1296	2.7498	2.1521	2.1605	1.0941	1.0930	1.0947	3.5017	4.1388	2.8563
C5	2.5051	1.5221	2.5612	3.1416		2.7962	3.5048	2.1600	3.4894	2.7753	4.1412	2.8738	3.4934	1.0938	1.0928	1.0928
O6	1.2184	2.4295	3.4707	4.8418	2.7962		2.0306	3.0915	3.7285	3.4697	5.6287	5.0774	5.2025	2.8136	2.6848	3.8775
H7	1.1151	2.2170	2.7328	4.1296	3.5048	2.0306		2.5043	2.3913	3.1152	4.7490	4.7793	4.3026	3.8256	3.7610	4.3543
H8	2.1051	1.1025	2.1408	2.7498	2.1600	3.0915	2.5043		2.4924	3.0467	3.7355	3.1619	2.5364	3.0708	2.5208	2.4916
H9	2.6134	2.1600	1.0980	2.1521	3.4894	3.7285	2.3913	2.4924		1.7606	2.4591	3.0732	2.5281	3.7639	4.3046	3.8603
H10	2.7555	2.1540	1.0975	2.1605	2.7753	3.4697	3.1152	3.0467	1.7606		2.5135	2.5067	3.0746	2.5664	3.7604	3.1704
H11	4.6354	3.5048	2.1679	1.0941	4.1412	5.6287	4.7490	3.7355	2.4591	2.5135		1.7665	1.7706	4.3394	5.1744	3.8713
H12	4.2763	2.8651	2.1808	1.0930	2.8738	5.0774	4.7793	3.1619	3.0732	2.5067	1.7665		1.7708	3.1347	3.8866	2.3061
H13	4.1329	2.8016	2.1713	1.0947	3.4934	5.2025	4.3026	2.5364	2.5281	3.0746	1.7706	1.7708		4.1219	4.3273	3.1083
H14	2.7977	2.1611	2.8008	3.5017	1.0938	2.8136	3.8256	3.0708	3.7639	2.5664	4.3394	3.1347	4.1219		1.7647	1.7763
H15	2.7110	2.1635	3.5030	4.1388	1.0928	2.6848	3.7610	2.5208	4.3046	3.7604	5.1744	3.8866	4.3273	1.7647		1.7736
H16	3.4588	2.1694	2.8503	2.8563	1.0928	3.8775	4.3543	2.4916	3.8603	3.1704	3.8713	2.3061	3.1083	1.7763	1.7736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.596	C1	C2	C5	111.115
C1	C2	H8	105.962	C2	C1	O6	125.061
C2	C1	H7	114.001	C2	C3	C4	113.538
C2	C3	H9	109.041	C2	C3	H10	108.607
C2	C5	H14	110.338	C2	C5	H15	110.587
C2	C5	H16	111.058	C3	C2	C5	113.754
C3	C2	H8	107.319	C3	C4	H11	110.521
C3	C4	H12	111.619	C3	C4	H13	110.754
C4	C3	H9	109.052	C4	C3	H10	109.739
C5	C2	H8	109.737	O6	C1	H7	120.906
H9	C3	H10	106.632	H11	C4	H12	107.742
H11	C4	H13	107.983	H12	C4	H13	108.085
H14	C5	H15	107.621	H14	C5	H16	108.649
H15	C5	H16	108.488

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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