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	hartrees
Energy at 0K	-231.575694
Energy at 298.15K	-231.585596
HF Energy	-230.950219
Nuclear repulsion energy	185.686354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3921	3630	20.04
2	A	3252	3011	65.38
3	A	3237	2996	17.74
4	A	3208	2970	13.30
5	A	3192	2955	26.17
6	A	3169	2934	22.30
7	A	1616	1496	7.90
8	A	1586	1468	4.96
9	A	1525	1412	83.81
10	A	1414	1309	1.35
11	A	1356	1255	19.89
12	A	1287	1192	0.05
13	A	1231	1139	114.70
14	A	1150	1065	49.30
15	A	1043	965	9.89
16	A	965	893	2.39
17	A	804	745	4.41
18	A	643	595	2.82
19	A	483	448	5.35
20	A	201	186	2.12
21	A	3234	2994	34.85
22	A	3164	2929	34.52
23	A	1575	1458	1.58
24	A	1389	1286	1.19
25	A	1337	1238	0.80
26	A	1323	1225	0.24
27	A	1263	1170	0.00
28	A	1114	1031	11.71
29	A	998	924	5.58
30	A	981	909	0.13
31	A	834	772	0.60
32	A	412	381	46.15
33	A	320	297	88.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.112	0.657	0.000
C2	0.112	-0.444	1.074
C3	0.112	-0.444	-1.074
C4	0.675	-1.397	0.000
O5	-0.877	1.648	0.000
H6	1.061	1.189	0.000
H7	0.680	-0.278	1.987
H8	-0.911	-0.716	1.341
H9	0.680	-0.278	-1.987
H10	-0.911	-0.716	-1.341
H11	1.764	-1.404	0.000
H12	0.322	-2.425	0.000
H13	-1.735	1.214	0.000

	C1	C2	C3	C4	O5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5380	1.5380	2.1302	1.4001	1.0882	2.2684	2.1748	2.2684	2.1748	2.6417	3.0894	1.9294
C2	1.5380		2.1479	1.5426	2.5509	2.1730	1.0880	1.0914	3.1175	2.6365	2.1919	2.2633	2.7046
C3	1.5380	2.1479		1.5426	2.5509	2.1730	3.1175	2.6365	1.0880	1.0914	2.1919	2.2633	2.7046
C4	2.1302	1.5426	1.5426		3.4180	2.6152	2.2803	2.1856	2.2803	2.1856	1.0886	1.0871	3.5539
O5	1.4001	2.5509	2.5509	3.4180		1.9920	3.1755	2.7179	3.1755	2.7179	4.0363	4.2457	0.9611
H6	1.0882	2.1730	2.1730	2.6152	1.9920		2.4994	3.0524	2.4994	3.0524	2.6872	3.6894	2.7965
H7	2.2684	1.0880	3.1175	2.2803	3.1755	2.4994		1.7720	3.9738	3.7143	2.5278	2.9471	3.4655
H8	2.1748	1.0914	2.6365	2.1856	2.7179	3.0524	1.7720		3.7143	2.6817	3.0699	2.4973	2.4908
H9	2.2684	3.1175	1.0880	2.2803	3.1755	2.4994	3.9738	3.7143		1.7720	2.5278	2.9471	3.4655
H10	2.1748	2.6365	1.0914	2.1856	2.7179	3.0524	3.7143	2.6817	1.7720		3.0699	2.4973	2.4908
H11	2.6417	2.1919	2.1919	1.0886	4.0363	2.6872	2.5278	3.0699	2.5278	3.0699		1.7670	4.3704
H12	3.0894	2.2633	2.2633	1.0871	4.2457	3.6894	2.9471	2.4973	2.9471	2.4973	1.7670		4.1803
H13	1.9294	2.7046	2.7046	3.5539	0.9611	2.7965	3.4655	2.4908	3.4655	2.4908	4.3704	4.1803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	87.494	C1	C2	H7	118.487
C1	C2	H8	110.449	C1	C3	C4	87.494
C1	C3	H9	118.487	C1	C3	H10	110.449
C1	O5	H13	108.154	C2	C1	C3	88.575
C2	C1	O5	120.429	C2	C1	H6	110.496
C2	C4	C3	88.247	C2	C4	H11	111.668
C2	C4	H12	117.744	C3	C1	O5	120.429
C3	C1	H6	110.496	C3	C4	H11	111.668
C3	C4	H12	117.744	C4	C2	H7	119.175
C4	C2	H8	110.990	C4	C3	H9	119.175
C4	C3	H10	110.990	O5	C1	H6	105.684
H7	C2	H8	108.794	H9	C3	H10	108.794
H11	C4	H12	108.615

All results from a given calculation for C₄H₈O (Cyclobutanol)

using model chemistry: CISD/6-31G*

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: CISD/6-31G*

States and conformations

All results from a given calculation for C₄H₈O (Cyclobutanol)