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	hartrees
Energy at 0K	-231.772623
Energy at 298.15K	-231.782333
HF Energy	-230.985964
Nuclear repulsion energy	183.868433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3804	3648	23.97
2	A	3178	3048	43.15
3	A	3161	3031	19.20
4	A	3119	2991	14.60
5	A	3103	2976	27.14
6	A	3079	2953	16.19
7	A	1506	1445	7.19
8	A	1479	1418	5.56
9	A	1420	1362	60.67
10	A	1316	1262	0.96
11	A	1251	1199	25.88
12	A	1206	1157	0.43
13	A	1147	1100	94.74
14	A	1081	1036	51.91
15	A	989	948	19.34
16	A	914	877	1.53
17	A	752	722	3.68
18	A	599	575	2.99
19	A	460	441	3.73
20	A	202	194	1.83
21	A	3160	3031	34.49
22	A	3076	2950	32.17
23	A	1464	1404	1.98
24	A	1284	1232	0.11
25	A	1239	1188	0.31
26	A	1234	1183	0.10
27	A	1171	1123	0.04
28	A	1052	1009	7.46
29	A	939	901	3.99
30	A	923	885	0.02
31	A	784	752	0.44
32	A	393	376	33.97
33	A	300	288	67.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.105	0.656	0.000
C2	0.105	-0.455	1.083
C3	0.105	-0.455	-1.083
C4	0.713	-1.397	0.000
O5	-0.891	1.668	0.000
H6	1.067	1.190	0.000
H7	0.653	-0.279	2.020
H8	-0.933	-0.754	1.311
H9	0.653	-0.279	-2.020
H10	-0.933	-0.754	-1.311
H11	1.812	-1.344	0.000
H12	0.399	-2.449	0.000
H13	-1.753	1.227	0.000

	C1	C2	C3	C4	O5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5511	1.5511	2.1403	1.4204	1.1011	2.2920	2.1866	2.2920	2.1866	2.6291	3.1189	1.9440
C2	1.5511		2.1659	1.5586	2.5831	2.1922	1.0995	1.1034	3.1558	2.6260	2.2084	2.2885	2.7304
C3	1.5511	2.1659		1.5586	2.5831	2.1922	3.1558	2.6260	1.0995	1.1034	2.2084	2.2885	2.7304
C4	2.1403	1.5586	1.5586		3.4591	2.6109	2.3093	2.1996	2.3093	2.1996	1.1004	1.0984	3.6008
O5	1.4204	2.5831	2.5831	3.4591		2.0162	3.2023	2.7544	3.2023	2.7544	4.0472	4.3151	0.9682
H6	1.1011	2.1922	2.1922	2.6109	2.0162		2.5318	3.0818	2.5318	3.0818	2.6411	3.7003	2.8209
H7	2.2920	1.0995	3.1558	2.3093	3.2023	2.5318		1.8003	4.0399	3.7192	2.5609	2.9758	3.4838
H8	2.1866	1.1034	2.6260	2.1996	2.7544	3.0818	1.8003		3.7192	2.6218	3.0981	2.5232	2.5134
H9	2.2920	3.1558	1.0995	2.3093	3.2023	2.5318	4.0399	3.7192		1.8003	2.5609	2.9758	3.4838
H10	2.1866	2.6260	1.1034	2.1996	2.7544	3.0818	3.7192	2.6218	1.8003		3.0981	2.5232	2.5134
H11	2.6291	2.2084	2.2084	1.1004	4.0472	2.6411	2.5609	3.0981	2.5609	3.0981		1.7937	4.3955
H12	3.1189	2.2885	2.2885	1.0984	4.3151	3.7003	2.9758	2.5232	2.9758	2.5232	1.7937		4.2604
H13	1.9440	2.7304	2.7304	3.6008	0.9682	2.8209	3.4838	2.5134	3.4838	2.5134	4.3955	4.2604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	86.988	C1	C2	H7	118.707
C1	C2	H8	109.768	C1	C3	C4	86.988
C1	C3	H9	118.707	C1	C3	H10	109.768
C1	O5	H13	107.437	C2	C1	C3	88.561
C2	C1	O5	120.691	C2	C1	H6	110.337
C2	C4	C3	88.030	C2	C4	H11	111.140
C2	C4	H12	117.891	C3	C1	O5	120.691
C3	C1	H6	110.337	C3	C4	H11	111.140
C3	C4	H12	117.891	C4	C2	H7	119.640
C4	C2	H8	110.274	C4	C3	H9	119.640
C4	C3	H10	110.274	O5	C1	H6	105.485
H7	C2	H8	109.617	H9	C3	H10	109.617
H11	C4	H12	109.324

All results from a given calculation for C₄H₈O (Cyclobutanol)

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₈O (Cyclobutanol)