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	hartrees
Energy at 0K	-270.931303
Energy at 298.15K	-270.942119
HF Energy	-270.038638
Nuclear repulsion energy	239.148307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3200	3048	14.60
2	A	3190	3038	18.88
3	A	3186	3035	22.68
4	A	3176	3026	24.95
5	A	3121	2973	19.85
6	A	3093	2946	13.79
7	A	3083	2936	19.80
8	A	3067	2921	28.23
9	A	3042	2898	16.55
10	A	2926	2787	129.44
11	A	1784	1700	108.13
12	A	1506	1435	2.74
13	A	1499	1427	7.80
14	A	1493	1422	7.09
15	A	1490	1419	8.63
16	A	1478	1408	0.42
17	A	1431	1363	4.88
18	A	1412	1345	2.81
19	A	1404	1337	5.38
20	A	1374	1309	4.59
21	A	1366	1301	1.52
22	A	1309	1247	1.46
23	A	1272	1212	0.43
24	A	1200	1143	2.72
25	A	1183	1127	2.72
26	A	1127	1073	1.39
27	A	1067	1016	0.42
28	A	1028	979	11.31
29	A	975	929	5.41
30	A	947	902	9.95
31	A	926	882	8.27
32	A	807	769	5.64
33	A	786	749	2.23
34	A	661	630	7.21
35	A	409	389	0.80
36	A	390	372	0.37
37	A	302	288	4.09
38	A	263	250	0.27
39	A	242	230	2.74
40	A	209	199	0.46
41	A	98	93	2.08
42	A	79	75	2.56

Atom	x (Å)	y (Å)	z (Å)
C1	-1.377	-0.699	0.217
C2	-0.082	0.070	0.411
C3	1.055	-0.694	-0.297
C4	2.448	-0.134	-0.000
C5	-0.228	1.520	-0.045
O6	-2.397	-0.238	-0.265
H7	-1.331	-1.771	0.549
H8	0.127	0.034	1.501
H9	1.019	-1.756	0.011
H10	0.867	-0.677	-1.388
H11	3.228	-0.750	-0.477
H12	2.561	0.896	-0.376
H13	2.641	-0.122	1.086
H14	-0.393	1.564	-1.135
H15	-1.098	1.994	0.437
H16	0.669	2.110	0.199

	C1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5185	2.4859	3.8730	2.5126	1.2190	1.1230	2.1094	2.6273	2.7596	4.6579	4.2899	4.1516	2.8136	2.7158	3.4752
C2	1.5185		1.5420	2.5716	1.5271	2.4313	2.2287	1.1112	2.1699	2.1667	3.5242	2.8786	2.8126	2.1715	2.1755	2.1842
C3	2.4859	1.5420		1.5307	2.5718	3.4823	2.7509	2.1504	1.1065	1.1069	2.1816	2.1913	2.1812	2.8096	3.5211	2.8738
C4	3.8730	2.5716	1.5307		3.1468	4.8537	4.1549	2.7693	2.1622	2.1724	1.1024	1.1017	1.1038	3.4983	4.1585	2.8709
C5	2.5126	1.5271	2.5718	3.1468		2.8006	3.5212	2.1743	3.5065	2.7987	4.1581	2.8774	3.4946	1.1031	1.1012	1.1009
O6	1.2190	2.4313	3.4823	4.8537	2.8006		2.0372	3.0934	3.7487	3.4799	5.6528	5.0872	5.2179	2.8318	2.6759	3.8895
H7	1.1230	2.2287	2.7509	4.1549	3.5212	2.0372		2.5077	2.4109	3.1275	4.7836	4.8075	4.3341	3.8515	3.7731	4.3798
H8	2.1094	1.1112	2.1504	2.7693	2.1743	3.0934	2.5077		2.4942	3.0660	3.7607	3.1920	2.5525	3.0920	2.5448	2.5105
H9	2.6273	2.1699	1.1065	2.1622	3.5065	3.7487	2.4109	2.4942		1.7731	2.4763	3.0920	2.5415	3.7850	4.3274	3.8870
H10	2.7596	2.1667	1.1069	2.1724	2.7987	3.4799	3.1275	3.0660	1.7731		2.5318	2.5231	3.0946	2.5830	3.7850	3.2133
H11	4.6579	3.5242	2.1816	1.1024	4.1581	5.6528	4.7836	3.7607	2.4763	2.5318		1.7788	1.7839	4.3470	5.2039	3.8973
H12	4.2899	2.8786	2.1913	1.1017	2.8774	5.0872	4.8075	3.1920	3.0920	2.5231	1.7788		1.7835	3.1216	3.9056	2.3206
H13	4.1516	2.8126	2.1812	1.1038	3.4946	5.2179	4.3341	2.5525	2.5415	3.0946	1.7839	1.7835		4.1206	4.3452	3.1085
H14	2.8136	2.1715	2.8096	3.4983	1.1031	2.8318	3.8515	3.0920	3.7850	2.5830	4.3470	3.1216	4.1206		1.7758	1.7897
H15	2.7158	2.1755	3.5211	4.1585	1.1012	2.6759	3.7731	2.5448	4.3274	3.7850	5.2039	3.9056	4.3452	1.7758		1.7866
H16	3.4752	2.1842	2.8738	2.8709	1.1009	3.8895	4.3798	2.5105	3.8870	3.2133	3.8973	2.3206	3.1085	1.7897	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.630	C1	C2	C5	111.179
C1	C2	H8	105.621	C2	C1	O6	124.923
C2	C1	H7	114.240	C2	C3	C4	113.631
C2	C3	H9	108.915	C2	C3	H10	108.647
C2	C5	H14	110.259	C2	C5	H15	110.688
C2	C5	H16	111.401	C3	C2	C5	113.848
C3	C2	H8	107.163	C3	C4	H11	110.848
C3	C4	H12	111.658	C3	C4	H13	110.725
C4	C3	H9	109.086	C4	C3	H10	109.852
C5	C2	H8	109.999	O6	C1	H7	120.833
H9	C3	H10	106.458	H11	C4	H12	107.613
H11	C4	H13	107.914	H12	C4	H13	107.928
H14	C5	H15	107.337	H14	C5	H16	108.583
H15	C5	H16	108.451

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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