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	hartrees
Energy at 0K	-270.873381
Energy at 298.15K	-270.884254
HF Energy	-270.017256
Nuclear repulsion energy	240.212016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3216	3030	15.38
2	A	3209	3023	16.06
3	A	3204	3019	25.59
4	A	3193	3008	24.98
5	A	3138	2957	18.64
6	A	3119	2938	11.07
7	A	3108	2928	17.76
8	A	3088	2910	23.73
9	A	3057	2880	14.39
10	A	2964	2793	111.53
11	A	1786	1683	96.18
12	A	1574	1483	3.74
13	A	1567	1476	9.73
14	A	1560	1470	6.74
15	A	1558	1468	7.47
16	A	1547	1458	0.79
17	A	1479	1394	8.78
18	A	1473	1388	3.24
19	A	1452	1368	2.31
20	A	1424	1342	5.33
21	A	1406	1325	1.69
22	A	1354	1276	1.97
23	A	1320	1243	0.70
24	A	1238	1166	1.86
25	A	1204	1135	3.31
26	A	1153	1086	3.35
27	A	1087	1024	0.03
28	A	1055	994	11.55
29	A	1008	950	7.97
30	A	964	908	7.45
31	A	944	889	12.33
32	A	820	772	4.89
33	A	804	758	2.60
34	A	678	639	7.93
35	A	419	395	0.78
36	A	395	372	0.53
37	A	308	290	4.80
38	A	271	255	0.49
39	A	246	231	3.02
40	A	214	202	0.41
41	A	98	92	2.01
42	A	75	70	3.83

Atom	x (Å)	y (Å)	z (Å)
C1	-1.365	-0.696	0.230
C2	-0.081	0.075	0.415
C3	1.047	-0.687	-0.299
C4	2.438	-0.137	-0.004
C5	-0.234	1.517	-0.043
O6	-2.383	-0.246	-0.277
H7	-1.333	-1.750	0.580
H8	0.138	0.047	1.495
H9	1.009	-1.743	-0.003
H10	0.857	-0.660	-1.379
H11	3.206	-0.749	-0.486
H12	2.553	0.886	-0.367
H13	2.635	-0.138	1.073
H14	-0.408	1.555	-1.122
H15	-1.090	1.988	0.443
H16	0.659	2.102	0.187

	C1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5090	2.4688	3.8507	2.4998	1.2231	1.1116	2.0998	2.6052	2.7434	4.6264	4.2669	4.1255	2.7946	2.7057	3.4531
C2	1.5090		1.5366	2.5622	1.5206	2.4255	2.2198	1.1023	2.1606	2.1537	3.5057	2.8645	2.8025	2.1588	2.1631	2.1699
C3	2.4688	1.5366		1.5249	2.5614	3.4580	2.7506	2.1405	1.0975	1.0972	2.1679	2.1788	2.1693	2.7964	3.5031	2.8577
C4	3.8507	2.5622	1.5249		3.1427	4.8302	4.1429	2.7514	2.1495	2.1601	1.0934	1.0921	1.0942	3.4950	4.1432	2.8670
C5	2.4998	1.5206	2.5614	3.1427		2.7897	3.5030	2.1603	3.4890	2.7769	4.1421	2.8755	3.4952	1.0932	1.0920	1.0918
O6	1.2231	2.4255	3.4580	4.8302	2.7897		2.0246	3.0954	3.7180	3.4472	5.6151	5.0650	5.1977	2.8037	2.6796	3.8707
H7	1.1116	2.2198	2.7506	4.1429	3.5030	2.0246		2.4963	2.4135	3.1339	4.7685	4.7903	4.3114	3.8312	3.7485	4.3548
H8	2.0998	1.1023	2.1405	2.7514	2.1603	3.0954	2.4963		2.4911	3.0458	3.7374	3.1631	2.5394	3.0697	2.5266	2.4917
H9	2.6052	2.1606	1.0975	2.1495	3.4890	3.7180	2.4135	2.4911		1.7581	2.4590	3.0704	2.5251	3.7602	4.3042	3.8661
H10	2.7434	2.1537	1.0972	2.1601	2.7769	3.4472	3.1339	3.0458	1.7581		2.5143	2.5079	3.0736	2.5634	3.7579	3.1814
H11	4.6264	3.5057	2.1679	1.0934	4.1421	5.6151	4.7685	3.7374	2.4590	2.5143		1.7639	1.7688	4.3322	5.1775	3.8818
H12	4.2669	2.8645	2.1788	1.0921	2.8755	5.0650	4.7903	3.1631	3.0704	2.5079	1.7639		1.7692	3.1278	3.8917	2.3186
H13	4.1255	2.8025	2.1693	1.0942	3.4952	5.1977	4.3114	2.5394	2.5251	3.0736	1.7688	1.7692		4.1165	4.3355	3.1166
H14	2.7946	2.1588	2.7964	3.4950	1.0932	2.8037	3.8312	3.0697	3.7602	2.5634	4.3322	3.1278	4.1165		1.7616	1.7748
H15	2.7057	2.1631	3.5031	4.1432	1.0920	2.6796	3.7485	2.5266	4.3042	3.7579	5.1775	3.8917	4.3355	1.7616		1.7713
H16	3.4531	2.1699	2.8577	2.8670	1.0918	3.8707	4.3548	2.4917	3.8661	3.1814	3.8818	2.3186	3.1166	1.7748	1.7713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.307	C1	C2	C5	111.198
C1	C2	H8	106.006	C2	C1	O6	124.866
C2	C1	H7	114.947	C2	C3	C4	113.626
C2	C3	H9	109.076	C2	C3	H10	108.559
C2	C5	H14	110.292	C2	C5	H15	110.699
C2	C5	H16	111.261	C3	C2	C5	113.820
C3	C2	H8	107.272	C3	C4	H11	110.701
C3	C4	H12	111.655	C3	C4	H13	110.763
C4	C3	H9	109.008	C4	C3	H10	109.858
C5	C2	H8	109.870	O6	C1	H7	120.179
H9	C3	H10	106.464	H11	C4	H12	107.630
H11	C4	H13	107.904	H12	C4	H13	108.039
H14	C5	H15	107.435	H14	C5	H16	108.633
H15	C5	H16	108.406

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

using model chemistry: MP2=FULL/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=FULL/6-31G*

States and conformations

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