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	hartrees
Energy at 0K	-230.190116
Energy at 298.15K	-230.199808
HF Energy	-229.664974
Nuclear repulsion energy	181.257725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3498	3401	1.96
2	A	3156	3068	42.29
3	A	3140	3053	8.27
4	A	3101	3015	14.53
5	A	3088	3002	19.02
6	A	3064	2979	14.09
7	A	1573	1529	2.83
8	A	1558	1515	8.62
9	A	1440	1401	49.21
10	A	1386	1348	0.74
11	A	1282	1246	21.05
12	A	1248	1214	0.54
13	A	1129	1098	34.35
14	A	1095	1065	93.93
15	A	952	926	8.71
16	A	901	876	0.93
17	A	746	726	5.13
18	A	612	595	2.42
19	A	440	427	5.80
20	A	187	182	2.59
21	A	3140	3053	22.24
22	A	3060	2975	22.34
23	A	1544	1501	3.26
24	A	1336	1299	0.01
25	A	1298	1262	1.12
26	A	1278	1243	0.00
27	A	1208	1174	0.10
28	A	1043	1014	4.07
29	A	932	906	19.75
30	A	877	852	0.01
31	A	800	778	1.06
32	A	387	377	99.55
33	A	330	321	38.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.115	0.673	0.000
C2	0.115	-0.461	1.104
C3	0.115	-0.461	-1.104
C4	0.687	-1.442	0.000
O5	-0.893	1.707	0.000
H6	1.080	1.191	0.000
H7	0.697	-0.295	2.015
H8	-0.921	-0.734	1.354
H9	0.697	-0.295	-2.015
H10	-0.921	-0.734	-1.354
H11	1.784	-1.432	0.000
H12	0.316	-2.470	0.000
H13	-1.778	1.258	0.000

	C1	C2	C3	C4	O5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5826	1.5826	2.1906	1.4441	1.0956	2.3103	2.2100	2.3103	2.2100	2.6863	3.1494	1.9810
C2	1.5826		2.2087	1.5841	2.6335	2.2094	1.0938	1.0995	3.1778	2.6814	2.2244	2.3017	2.7850
C3	1.5826	2.2087		1.5841	2.6335	2.2094	3.1778	2.6814	1.0938	1.0995	2.2244	2.3017	2.7850
C4	2.1906	1.5841	1.5841		3.5231	2.6623	2.3184	2.2181	2.3184	2.2181	1.0963	1.0934	3.6559
O5	1.4441	2.6335	2.6335	3.5231		2.0389	3.2558	2.7916	3.2558	2.7916	4.1255	4.3490	0.9925
H6	1.0956	2.2094	2.2094	2.6623	2.0389		2.5334	3.0890	2.5334	3.0890	2.7165	3.7404	2.8584
H7	2.3103	1.0938	3.1778	2.3184	3.2558	2.5334		1.8020	4.0304	3.7632	2.5560	2.9893	3.5498
H8	2.2100	1.0995	2.6814	2.2181	2.7916	3.0890	1.8020		3.7632	2.7081	3.1039	2.5256	2.5566
H9	2.3103	3.1778	1.0938	2.3184	3.2558	2.5334	4.0304	3.7632		1.8020	2.5560	2.9893	3.5498
H10	2.2100	2.6814	1.0995	2.2181	2.7916	3.0890	3.7632	2.7081	1.8020		3.1039	2.5256	2.5566
H11	2.6863	2.2244	2.2244	1.0963	4.1255	2.7165	2.5560	3.1039	2.5560	3.1039		1.7971	4.4634
H12	3.1494	2.3017	2.3017	1.0934	4.3490	3.7404	2.9893	2.5256	2.9893	2.5256	1.7971		4.2763
H13	1.9810	2.7850	2.7850	3.6559	0.9925	2.8584	3.5498	2.5566	3.5498	2.5566	4.4634	4.2763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	87.538	C1	C2	H7	118.209
C1	C2	H8	109.654	C1	C3	C4	87.538
C1	C3	H9	118.209	C1	C3	H10	109.654
C1	O5	H13	107.337	C2	C1	C3	88.499
C2	C1	O5	120.873	C2	C1	H6	109.827
C2	C4	C3	88.395	C2	C4	H11	110.864
C2	C4	H12	117.378	C3	C1	O5	120.873
C3	C1	H6	109.827	C3	C4	H11	110.864
C3	C4	H12	117.378	C4	C2	H7	118.793
C4	C2	H8	110.181	C4	C3	H9	118.793
C4	C3	H10	110.181	O5	C1	H6	105.983
H7	C2	H8	110.489	H9	C3	H10	110.489
H11	C4	H12	110.317

All results from a given calculation for C₄H₈O (Cyclobutanol)

using model chemistry: CCD/3-21G

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 C4H8O (Cyclobutanol)

using model chemistry: CCD/3-21G

States and conformations

All results from a given calculation for C₄H₈O (Cyclobutanol)