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	hartrees
Energy at 0K	-233.766455
Energy at 298.15K	-233.777587
Nuclear repulsion energy	192.671509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3824	3700	23.47
2	A	3087	2987	41.46
3	A	3082	2982	39.49
4	A	3077	2977	49.71
5	A	3070	2971	23.18
6	A	3069	2969	17.04
7	A	3021	2922	34.67
8	A	3014	2916	27.00
9	A	3010	2912	10.80
10	A	2971	2874	40.88
11	A	1515	1465	13.97
12	A	1506	1457	5.27
13	A	1502	1453	0.35
14	A	1495	1446	3.26
15	A	1488	1439	0.74
16	A	1428	1381	17.42
17	A	1407	1361	7.53
18	A	1402	1357	9.33
19	A	1382	1337	2.21
20	A	1364	1320	7.87
21	A	1326	1283	0.26
22	A	1242	1201	13.92
23	A	1193	1154	1.06
24	A	1153	1116	3.44
25	A	1107	1071	11.66
26	A	1051	1017	119.83
27	A	968	936	0.81
28	A	943	912	7.37
29	A	928	898	0.75
30	A	902	872	6.61
31	A	811	785	5.62
32	A	486	471	4.29
33	A	416	403	0.72
34	A	354	343	0.82
35	A	270	261	40.75
36	A	248	240	22.44
37	A	232	225	57.75
38	A	216	209	1.22
39	A	121	117	3.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.449	0.005	-0.341
C2	-0.784	-0.679	0.255
C3	1.707	-0.789	0.018
C4	0.566	1.463	0.108
O5	-2.025	-0.112	-0.165
H6	0.326	-0.011	-1.429
H7	1.643	-1.820	-0.334
H8	2.595	-0.339	-0.429
H9	1.861	-0.815	1.100
H10	-0.305	2.051	-0.188
H11	0.671	1.531	1.194
H12	1.439	1.940	-0.338
H13	-0.821	-1.719	-0.070
H14	-0.714	-0.679	1.350
H15	-2.123	0.758	0.230

	C1	C2	C3	C4	O5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5305	1.5308	1.5302	2.4824	1.0943	2.1811	2.1752	2.1779	2.1861	2.1762	2.1743	2.1582	2.1634	2.7397
C2	1.5305		2.5053	2.5357	1.4265	2.1240	2.7464	3.4642	2.7806	2.8065	2.8075	3.4863	1.0904	1.0979	1.9639
C3	1.5308	2.5053		2.5264	3.7972	2.1461	1.0914	1.0907	1.0930	3.4869	2.8000	2.7655	2.6957	2.7659	4.1362
C4	1.5302	2.5357	2.5264		3.0439	2.1424	3.4835	2.7665	2.8019	1.0915	1.0936	1.0909	3.4755	2.7871	2.7817
O5	2.4824	1.4265	3.7972	3.0439		2.6707	4.0495	4.6325	4.1464	2.7636	3.4369	4.0302	2.0094	2.0817	0.9609
H6	1.0943	2.1240	2.1461	2.1424	2.6707		2.4911	2.5008	3.0652	2.4880	3.0619	2.4972	2.4655	3.0413	3.0557
H7	2.1811	2.7464	1.0914	3.4835	4.0495	2.4911		1.7627	1.7647	4.3363	3.8092	3.7659	2.4809	3.1140	4.5988
H8	2.1752	3.4642	1.0907	2.7665	4.6325	2.5008	1.7627		1.7611	3.7658	3.1359	2.5573	3.7017	3.7722	4.8880
H9	2.1779	2.7806	1.0930	2.8019	4.1464	3.0652	1.7647	1.7611		3.8163	2.6322	3.1363	3.0631	2.5910	4.3707
H10	2.1861	2.8065	3.4869	1.0915	2.7636	2.4880	4.3363	3.7658	3.8163		1.7699	1.7544	3.8069	3.1598	2.2690
H11	2.1762	2.8075	2.8000	1.0936	3.4369	3.0619	3.8092	3.1359	2.6322	1.7699		1.7624	3.7929	2.6124	3.0546
H12	2.1743	3.4863	2.7655	1.0909	4.0302	2.4972	3.7659	2.5573	3.1363	1.7544	1.7624		4.3096	3.7877	3.7956
H13	2.1582	1.0904	2.6957	3.4755	2.0094	2.4655	2.4809	3.7017	3.0631	3.8069	3.7929	4.3096		1.7637	2.8142
H14	2.1634	1.0979	2.7659	2.7871	2.0817	3.0413	3.1140	3.7722	2.5910	3.1598	2.6124	3.7877	1.7637		2.3033
H15	2.7397	1.9639	4.1362	2.7817	0.9609	3.0557	4.5988	4.8880	4.3707	2.2690	3.0546	3.7956	2.8142	2.3033

All results from a given calculation for C₄H₁₀O (1-Propanol, 2-methyl-)

using model chemistry: B3LYP/aug-cc-pVTZ

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 C4H10O (1-Propanol, 2-methyl-)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₁₀O (1-Propanol, 2-methyl-)