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	hartrees
Energy at 0K	-42.650790
Energy at 298.15K	-42.660473
HF Energy	-42.171844
Nuclear repulsion energy	101.259477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3611	3525	12.40
2	A	3105	3030	103.82
3	A	3088	3014	9.07
4	A	3069	2995	5.07
5	A	3015	2943	33.26
6	A	2995	2923	30.08
7	A	1523	1487	4.20
8	A	1518	1481	6.35
9	A	1411	1377	35.63
10	A	1335	1303	3.80
11	A	1277	1247	16.50
12	A	1226	1196	0.07
13	A	1115	1088	7.59
14	A	1067	1041	128.31
15	A	949	926	32.41
16	A	914	892	1.36
17	A	749	731	9.31
18	A	597	583	5.00
19	A	444	433	5.75
20	A	196	191	2.99
21	A	3083	3009	42.39
22	A	2991	2919	49.25
23	A	1501	1465	3.55
24	A	1323	1292	0.46
25	A	1279	1249	0.26
26	A	1262	1232	0.83
27	A	1189	1161	0.01
28	A	1030	1005	13.67
29	A	930	908	8.99
30	A	905	883	1.05
31	A	795	776	0.24
32	A	373	364	79.80
33	A	311	303	79.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.132	0.668	0.000
C2	0.132	-0.460	1.107
C3	0.132	-0.460	-1.107
C4	0.725	-1.437	0.000
O5	-0.925	1.701	0.000
H6	1.068	1.243	0.000
H7	0.708	-0.284	2.027
H8	-0.905	-0.744	1.363
H9	0.708	-0.284	-2.027
H10	-0.905	-0.744	-1.363
H11	1.827	-1.421	0.000
H12	0.373	-2.480	0.000
H13	-1.808	1.265	0.000

	C1	C2	C3	C4	O5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5802	1.5802	2.1872	1.4780	1.0992	2.3126	2.2197	2.3126	2.2197	2.6905	3.1567	2.0293
C2	1.5802		2.2133	1.5911	2.6483	2.2368	1.1006	1.1056	3.1915	2.6937	2.2412	2.3154	2.8217
C3	1.5802	2.2133		1.5911	2.6483	2.2368	3.1915	2.6937	1.1006	1.1056	2.2412	2.3154	2.8217
C4	2.1872	1.5911	1.5911		3.5459	2.7025	2.3328	2.2354	2.3328	2.2354	1.1025	1.1001	3.7035
O5	1.4780	2.6483	2.6483	3.5459		2.0450	3.2737	2.7997	3.2737	2.7997	4.1622	4.3778	0.9851
H6	1.0992	2.2368	2.2368	2.7025	2.0450		2.5634	3.1150	2.5634	3.1150	2.7704	3.7873	2.8761
H7	2.3126	1.1006	3.1915	2.3328	3.2737	2.5634		1.8048	4.0549	3.7831	2.5801	3.0076	3.5830
H8	2.2197	1.1056	2.6937	2.2354	2.7997	3.1150	1.8048		3.7831	2.7262	3.1280	2.5504	2.5898
H9	2.3126	3.1915	1.1006	2.3328	3.2737	2.5634	4.0549	3.7831		1.8048	2.5801	3.0076	3.5830
H10	2.2197	2.6937	1.1056	2.2354	2.7997	3.1150	3.7831	2.7262	1.8048		3.1280	2.5504	2.5898
H11	2.6905	2.2412	2.2412	1.1025	4.1622	2.7704	2.5801	3.1280	2.5801	3.1280		1.7988	4.5197
H12	3.1567	2.3154	2.3154	1.1001	4.3778	3.7873	3.0076	2.5504	3.0076	2.5504	1.7988		4.3331
H13	2.0293	2.8217	2.8217	3.7035	0.9851	2.8761	3.5830	2.5898	3.5830	2.5898	4.5197	4.3331

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	87.212	C1	C2	H7	118.124
C1	C2	H8	110.224	C1	C3	C4	87.212
C1	C3	H9	118.124	C1	C3	H10	110.224
C1	O5	H13	109.316	C2	C1	C3	88.905
C2	C1	O5	119.948	C2	C1	H6	111.940
C2	C4	C3	88.142	C2	C4	H11	111.326
C2	C4	H12	117.559	C3	C1	O5	119.948
C3	C1	H6	111.940	C3	C4	H11	111.326
C3	C4	H12	117.559	C4	C2	H7	119.030
C4	C2	H8	110.693	C4	C3	H9	119.030
C4	C3	H10	110.693	O5	C1	H6	104.063
H7	C2	H8	109.786	H9	C3	H10	109.786
H11	C4	H12	109.505

All results from a given calculation for C₄H₈O (Cyclobutanol)

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

All results from a given calculation for C₄H₈O (Cyclobutanol)