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	hartrees
Energy at 0K	-270.986624
Energy at 298.15K	-270.997465
HF Energy	-270.039752
Nuclear repulsion energy	240.038701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3229	3005	18.55
2	A	3219	2996	28.14
3	A	3214	2991	30.64
4	A	3205	2982	36.95
5	A	3155	2936	22.16
6	A	3136	2918	16.26
7	A	3125	2908	23.64
8	A	3111	2895	33.10
9	A	3076	2862	22.73
10	A	3024	2813	85.89
11	A	1866	1737	159.23
12	A	1560	1452	3.54
13	A	1553	1446	9.41
14	A	1548	1440	6.12
15	A	1544	1437	7.19
16	A	1536	1429	0.96
17	A	1482	1379	7.94
18	A	1471	1369	2.89
19	A	1460	1358	3.57
20	A	1430	1330	3.21
21	A	1408	1310	1.85
22	A	1349	1255	1.58
23	A	1318	1226	0.29
24	A	1235	1149	0.97
25	A	1204	1120	3.63
26	A	1155	1074	2.33
27	A	1083	1008	0.10
28	A	1049	977	10.18
29	A	1004	934	4.92
30	A	963	896	3.60
31	A	941	875	11.50
32	A	815	759	5.43
33	A	799	744	1.85
34	A	674	627	9.99
35	A	414	385	0.71
36	A	396	368	0.74
37	A	300	279	4.60
38	A	265	247	1.07
39	A	238	222	2.98
40	A	205	191	0.44
41	A	92	85	2.97
42	A	73	68	5.64

Atom	x (Å)	y (Å)	z (Å)
C1	-1.373	-0.697	0.218
C2	-0.085	0.075	0.403
C3	1.051	-0.690	-0.302
C4	2.444	-0.143	0.007
C5	-0.225	1.526	-0.048
O6	-2.393	-0.246	-0.259
H7	-1.338	-1.750	0.548
H8	0.122	0.044	1.481
H9	1.008	-1.741	-0.004
H10	0.875	-0.663	-1.381
H11	3.211	-0.758	-0.463
H12	2.565	0.875	-0.359
H13	2.628	-0.140	1.083
H14	-0.375	1.577	-1.127
H15	-1.084	1.995	0.426
H16	0.665	2.098	0.205

	C1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5131	2.4794	3.8633	2.5158	1.2134	1.1042	2.0925	2.6093	2.7588	4.6344	4.2797	4.1309	2.8242	2.7155	3.4590
C2	1.5131		1.5407	2.5696	1.5256	2.4228	2.2191	1.0984	2.1586	2.1559	3.5079	2.8715	2.8050	2.1630	2.1644	2.1661
C3	2.4794	1.5407		1.5286	2.5699	3.4733	2.7487	2.1406	1.0932	1.0934	2.1665	2.1785	2.1693	2.8025	3.5074	2.8600
C4	3.8633	2.5696	1.5286		3.1490	4.8463	4.1455	2.7572	2.1490	2.1589	1.0892	1.0887	1.0908	3.4919	4.1472	2.8682
C5	2.5158	1.5256	2.5699	3.1490		2.8080	3.5110	2.1579	3.4922	2.7886	4.1465	2.8824	3.4920	1.0899	1.0879	1.0882
O6	1.2134	2.4228	3.4733	4.8463	2.8080		2.0066	3.0724	3.7240	3.4803	5.6310	5.0849	5.1985	2.8549	2.6846	3.8812
H7	1.1042	2.2191	2.7487	4.1455	3.5110	2.0066		2.4944	2.4102	3.1305	4.7643	4.7910	4.3139	3.8474	3.7559	4.3518
H8	2.0925	1.0984	2.1406	2.7572	2.1579	3.0724	2.4944		2.4854	3.0426	3.7367	3.1701	2.5441	3.0657	2.5248	2.4783
H9	2.6093	2.1586	1.0932	2.1490	3.4922	3.7240	2.4102	2.4854		1.7537	2.4554	3.0653	2.5238	3.7659	4.3037	3.8599
H10	2.7588	2.1559	1.0934	2.1589	2.7886	3.4803	3.1305	3.0426	1.7537		2.5114	2.5032	3.0683	2.5774	3.7642	3.1908
H11	4.6344	3.5079	2.1665	1.0892	4.1465	5.6310	4.7643	3.7367	2.4554	2.5114		1.7590	1.7637	4.3300	5.1785	3.8837
H12	4.2797	2.8715	2.1785	1.0887	2.8824	5.0849	4.7910	3.1701	3.0653	2.5032	1.7590		1.7644	3.1188	3.8977	2.3293
H13	4.1309	2.8050	2.1693	1.0908	3.4920	5.1985	4.3139	2.5441	2.5238	3.0683	1.7637	1.7644		4.1043	4.3322	3.1031
H14	2.8242	2.1630	2.8025	3.4919	1.0899	2.8549	3.8474	3.0657	3.7659	2.5774	4.3300	3.1188	4.1043		1.7580	1.7684
H15	2.7155	2.1644	3.5074	4.1472	1.0879	2.6846	3.7559	2.5248	4.3037	3.7642	5.1785	3.8977	4.3322	1.7580		1.7662
H16	3.4590	2.1661	2.8600	2.8682	1.0882	3.8812	4.3518	2.4783	3.8599	3.1908	3.8837	2.3293	3.1031	1.7684	1.7662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.562	C1	C2	C5	111.773
C1	C2	H8	105.396	C2	C1	O6	125.046
C2	C1	H7	115.070	C2	C3	C4	113.688
C2	C3	H9	108.891	C2	C3	H10	108.664
C2	C5	H14	110.479	C2	C5	H15	110.708
C2	C5	H16	110.828	C3	C2	C5	113.883
C3	C2	H8	107.216	C3	C4	H11	110.584
C3	C4	H12	111.579	C3	C4	H13	110.711
C4	C3	H9	108.978	C4	C3	H10	109.736
C5	C2	H8	109.571	O6	C1	H7	119.882
H9	C3	H10	106.644	H11	C4	H12	107.729
H11	C4	H13	107.997	H12	C4	H13	108.104
H14	C5	H15	107.653	H14	C5	H16	108.563
H15	C5	H16	108.515

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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