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	hartrees
Energy at 0K	-272.852467
Energy at 298.15K	-272.865602
Nuclear repulsion energy	252.875452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3679	3660	13.79
2	A'	3019	3003	71.11
3	A'	3019	3003	81.12
4	A'	2959	2943	1.68
5	A'	2955	2939	69.82
6	A'	2929	2914	15.64
7	A'	2915	2900	47.11
8	A'	1488	1480	0.75
9	A'	1478	1470	11.83
10	A'	1476	1468	9.07
11	A'	1457	1450	3.38
12	A'	1403	1395	3.21
13	A'	1386	1379	3.87
14	A'	1336	1329	3.23
15	A'	1292	1285	17.74
16	A'	1198	1191	23.79
17	A'	1164	1158	3.29
18	A'	1089	1083	6.50
19	A'	987	982	82.17
20	A'	952	947	20.27
21	A'	917	912	15.80
22	A'	764	760	5.87
23	A'	538	535	1.92
24	A'	391	389	6.58
25	A'	315	314	5.90
26	A'	248	247	0.16
27	A'	200	199	2.06
28	A"	3018	3002	29.09
29	A"	3013	2997	0.14
30	A"	2994	2978	52.59
31	A"	2953	2937	69.45
32	A"	2943	2928	7.68
33	A"	1465	1457	1.48
34	A"	1456	1448	0.60
35	A"	1366	1359	5.58
36	A"	1328	1321	3.15
37	A"	1283	1276	0.51
38	A"	1208	1202	0.22
39	A"	1135	1129	4.63
40	A"	970	965	0.00
41	A"	936	931	0.05
42	A"	903	899	0.31
43	A"	775	771	0.06
44	A"	359	357	0.03
45	A"	266	264	115.94
46	A"	231	230	1.53
47	A"	100	100	0.29
48	A"	68	67	11.66

All results from a given calculation for C₅H₁₂O (1-Butanol, 3-methyl-)

using model chemistry: BLYP/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 C5H12O (1-Butanol, 3-methyl-)

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

States and conformations

All results from a given calculation for C₅H₁₂O (1-Butanol, 3-methyl-)