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	hartrees
Energy at 0K	-230.155198
Energy at 298.15K	-230.164930
HF Energy	-229.665297
Nuclear repulsion energy	181.570372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3503	3321	2.90
2	A	3206	3039	38.21
3	A	3188	3023	9.87
4	A	3147	2984	14.34
5	A	3133	2970	18.95
6	A	3107	2946	13.41
7	A	1591	1508	2.58
8	A	1578	1496	8.80
9	A	1442	1367	40.80
10	A	1389	1316	1.91
11	A	1289	1222	22.19
12	A	1260	1195	1.09
13	A	1134	1075	13.73
14	A	1092	1035	126.77
15	A	960	910	12.48
16	A	912	864	1.69
17	A	752	713	4.83
18	A	610	578	2.52
19	A	446	423	5.41
20	A	199	189	2.78
21	A	3188	3022	21.68
22	A	3104	2942	21.96
23	A	1561	1480	2.64
24	A	1349	1278	0.00
25	A	1310	1242	1.06
26	A	1290	1223	0.01
27	A	1217	1153	0.16
28	A	1048	994	3.75
29	A	935	887	20.70
30	A	882	836	0.11
31	A	811	769	1.34
32	A	396	375	108.44
33	A	333	315	28.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.108	0.667	0.000
C2	0.108	-0.467	1.100
C3	0.108	-0.467	-1.100
C4	0.703	-1.431	0.000
O5	-0.890	1.713	0.000
H6	1.074	1.177	0.000
H7	0.672	-0.299	2.019
H8	-0.925	-0.753	1.329
H9	0.672	-0.299	-2.019
H10	-0.925	-0.753	-1.329
H11	1.795	-1.389	0.000
H12	0.363	-2.466	0.000
H13	-1.777	1.266	0.000

	C1	C2	C3	C4	O5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5797	1.5797	2.1805	1.4462	1.0922	2.3076	2.2020	2.3076	2.2020	2.6596	3.1433	1.9785
C2	1.5797		2.2006	1.5794	2.6379	2.2009	1.0905	1.0962	3.1739	2.6552	2.2154	2.2964	2.7871
C3	1.5797	2.2006		1.5794	2.6379	2.2009	3.1739	2.6552	1.0905	1.0962	2.2154	2.2964	2.7871
C4	2.1805	1.5794	1.5794		3.5247	2.6338	2.3145	2.2084	2.3145	2.2084	1.0928	1.0900	3.6642
O5	1.4462	2.6379	2.6379	3.5247		2.0364	3.2501	2.8012	3.2501	2.8012	4.1032	4.3629	0.9933
H6	1.0922	2.2009	2.2009	2.6338	2.0364		2.5325	3.0798	2.5325	3.0798	2.6653	3.7117	2.8529
H7	2.3076	1.0905	3.1739	2.3145	3.2501	2.5325		1.7979	4.0371	3.7366	2.5544	2.9779	3.5387
H8	2.2020	1.0962	2.6552	2.2084	2.8012	3.0798	1.7979		3.7366	2.6577	3.0937	2.5218	2.5627
H9	2.3076	3.1739	1.0905	2.3145	3.2501	2.5325	4.0371	3.7366		1.7979	2.5544	2.9779	3.5387
H10	2.2020	2.6552	1.0962	2.2084	2.8012	3.0798	3.7366	2.6577	1.7979		3.0937	2.5218	2.5627
H11	2.6596	2.2154	2.2154	1.0928	4.1032	2.6653	2.5544	3.0937	2.5544	3.0937		1.7923	4.4512
H12	3.1433	2.2964	2.2964	1.0900	4.3629	3.7117	2.9779	2.5218	2.9779	2.5218	1.7923		4.3021
H13	1.9785	2.7871	2.7871	3.6642	0.9933	2.8529	3.5387	2.5627	3.5387	2.5627	4.4512	4.3021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	87.295	C1	C2	H7	118.430
C1	C2	H8	109.421	C1	C3	C4	87.295
C1	C3	H9	118.430	C1	C3	H10	109.421
C1	O5	H13	106.920	C2	C1	C3	88.299
C2	C1	O5	121.267	C2	C1	H6	109.569
C2	C4	C3	88.319	C2	C4	H11	110.685
C2	C4	H12	117.525	C3	C1	O5	121.267
C3	C1	H6	109.569	C3	C4	H11	110.685
C3	C4	H12	117.525	C4	C2	H7	119.062
C4	C2	H8	109.941	C4	C3	H9	119.062
C4	C3	H10	109.941	O5	C1	H6	105.842
H7	C2	H8	110.604	H9	C3	H10	110.604
H11	C4	H12	110.400

All results from a given calculation for C₄H₈O (Cyclobutanol)

using model chemistry: MP2=FULL/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: MP2=FULL/3-21G*

States and conformations

All results from a given calculation for C₄H₈O (Cyclobutanol)