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	hartrees
Energy at 0K	-230.116443
Energy at 298.15K	-230.126237
Nuclear repulsion energy	182.451811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3655	3401	1.50
2	A	3241	3016	44.59
3	A	3226	3001	8.60
4	A	3193	2971	12.20
5	A	3174	2953	18.53
6	A	3151	2932	16.49
7	A	1611	1499	3.52
8	A	1594	1483	8.89
9	A	1474	1371	52.64
10	A	1417	1319	1.31
11	A	1324	1232	24.22
12	A	1283	1194	0.04
13	A	1164	1083	54.94
14	A	1126	1047	91.37
15	A	981	913	9.75
16	A	929	864	0.59
17	A	771	717	6.05
18	A	630	587	2.76
19	A	452	420	6.01
20	A	189	176	2.67
21	A	3224	3000	21.98
22	A	3146	2927	24.49
23	A	1580	1470	3.98
24	A	1376	1281	0.00
25	A	1339	1246	1.23
26	A	1318	1227	0.06
27	A	1247	1160	0.08
28	A	1076	1001	5.60
29	A	965	898	20.65
30	A	909	846	0.04
31	A	821	764	1.08
32	A	393	366	93.51
33	A	337	314	54.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.116	0.669	0.000
C2	0.116	-0.456	1.097
C3	0.116	-0.456	-1.097
C4	0.681	-1.433	0.000
O5	-0.890	1.692	0.000
H6	1.072	1.188	0.000
H7	0.697	-0.292	2.001
H8	-0.912	-0.726	1.351
H9	0.697	-0.292	-2.001
H10	-0.912	-0.726	-1.351
H11	1.770	-1.432	0.000
H12	0.307	-2.454	0.000
H13	-1.771	1.259	0.000

	C1	C2	C3	C4	O5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5722	1.5722	2.1775	1.4338	1.0879	2.2949	2.1975	2.2949	2.1975	2.6746	3.1290	1.9772
C2	1.5722		2.1949	1.5744	2.6132	2.1960	1.0870	1.0923	3.1568	2.6693	2.2121	2.2871	2.7766
C3	1.5722	2.1949		1.5744	2.6132	2.1960	3.1568	2.6693	1.0870	1.0923	2.2121	2.2871	2.7766
C4	2.1775	1.5744	1.5744		3.4975	2.6503	2.3037	2.2053	2.3037	2.2053	1.0892	1.0864	3.6421
O5	1.4338	2.6132	2.6132	3.4975		2.0255	3.2338	2.7697	3.2338	2.7697	4.1027	4.3147	0.9821
H6	1.0879	2.1960	2.1960	2.6503	2.0255		2.5168	3.0700	2.5168	3.0700	2.7113	3.7209	2.8445
H7	2.2949	1.0870	3.1568	2.3037	3.2338	2.5168		1.7888	4.0019	3.7437	2.5405	2.9713	3.5363
H8	2.1975	1.0923	2.6693	2.2053	2.7697	3.0700	1.7888		3.7437	2.7026	3.0851	2.5095	2.5507
H9	2.2949	3.1568	1.0870	2.3037	3.2338	2.5168	4.0019	3.7437		1.7888	2.5405	2.9713	3.5363
H10	2.1975	2.6693	1.0923	2.2053	2.7697	3.0700	3.7437	2.7026	1.7888		3.0851	2.5095	2.5507
H11	2.6746	2.2121	2.2121	1.0892	4.1027	2.7113	2.5405	3.0851	2.5405	3.0851		1.7841	4.4482
H12	3.1290	2.2871	2.2871	1.0864	4.3147	3.7209	2.9713	2.5095	2.9713	2.5095	1.7841		4.2554
H13	1.9772	2.7766	2.7766	3.6421	0.9821	2.8445	3.5363	2.5507	3.5363	2.5507	4.4482	4.2554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	87.582	C1	C2	H7	118.165
C1	C2	H8	109.812	C1	C3	C4	87.582
C1	C3	H9	118.165	C1	C3	H10	109.812
C1	O5	H13	108.408	C2	C1	C3	88.543
C2	C1	O5	120.698	C2	C1	H6	109.949
C2	C4	C3	88.386	C2	C4	H11	110.991
C2	C4	H12	117.350	C3	C1	O5	120.698
C3	C1	H6	109.949	C3	C4	H11	110.991
C3	C4	H12	117.350	C4	C2	H7	118.758
C4	C2	H8	110.274	C4	C3	H9	118.758
C4	C3	H10	110.274	O5	C1	H6	106.067
H7	C2	H8	110.338	H9	C3	H10	110.338
H11	C4	H12	110.176

All results from a given calculation for C₄H₈O (Cyclobutanol)

using model chemistry: CID/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: CID/3-21G*

States and conformations

All results from a given calculation for C₄H₈O (Cyclobutanol)