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	hartrees
Energy at 0K	-230.118625
Energy at 298.15K	-230.128425
Nuclear repulsion energy	182.356748

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3643	3429	1.46
2	A	3237	3047	45.27
3	A	3221	3032	8.64
4	A	3189	3001	12.15
5	A	3170	2984	18.69
6	A	3147	2962	16.89
7	A	1609	1515	3.42
8	A	1592	1499	8.79
9	A	1472	1385	52.13
10	A	1414	1331	1.32
11	A	1321	1244	23.91
12	A	1281	1206	0.05
13	A	1160	1092	52.10
14	A	1123	1057	95.19
15	A	978	921	9.72
16	A	927	872	0.66
17	A	768	723	5.95
18	A	629	592	2.77
19	A	450	424	6.00
20	A	189	178	2.66
21	A	3219	3030	22.36
22	A	3141	2957	24.89
23	A	1578	1485	3.78
24	A	1374	1294	0.00
25	A	1337	1259	1.19
26	A	1317	1239	0.05
27	A	1245	1172	0.08
28	A	1073	1010	5.38
29	A	961	905	20.97
30	A	906	852	0.02
31	A	819	771	1.10
32	A	394	371	96.53
33	A	337	317	50.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.115	0.670	0.000
C2	0.115	-0.457	1.098
C3	0.115	-0.457	-1.098
C4	0.682	-1.434	0.000
O5	-0.890	1.693	0.000
H6	1.072	1.188	0.000
H7	0.696	-0.292	2.002
H8	-0.912	-0.727	1.351
H9	0.696	-0.292	-2.002
H10	-0.912	-0.727	-1.351
H11	1.772	-1.431	0.000
H12	0.310	-2.455	0.000
H13	-1.772	1.260	0.000

	C1	C2	C3	C4	O5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5732	1.5732	2.1784	1.4348	1.0880	2.2960	2.1984	2.2960	2.1984	2.6747	3.1304	1.9779
C2	1.5732		2.1960	1.5752	2.6153	2.1970	1.0872	1.0925	3.1584	2.6694	2.2129	2.2879	2.7779
C3	1.5732	2.1960		1.5752	2.6153	2.1970	3.1584	2.6694	1.0872	1.0925	2.2129	2.2879	2.7779
C4	2.1784	1.5752	1.5752		3.5000	2.6506	2.3046	2.2060	2.3046	2.2060	1.0894	1.0866	3.6443
O5	1.4348	2.6153	2.6153	3.5000		2.0261	3.2354	2.7720	3.2354	2.7720	4.1040	4.3180	0.9828
H6	1.0880	2.1970	2.1970	2.6506	2.0261		2.5182	3.0711	2.5182	3.0711	2.7105	3.7215	2.8452
H7	2.2960	1.0872	3.1584	2.3046	3.2354	2.5182		1.7894	4.0043	3.7442	2.5417	2.9720	3.5373
H8	2.1984	1.0925	2.6694	2.2060	2.7720	3.0711	1.7894		3.7442	2.7014	3.0860	2.5104	2.5521
H9	2.2960	3.1584	1.0872	2.3046	3.2354	2.5182	4.0043	3.7442		1.7894	2.5417	2.9720	3.5373
H10	2.1984	2.6694	1.0925	2.2060	2.7720	3.0711	3.7442	2.7014	1.7894		3.0860	2.5104	2.5521
H11	2.6747	2.2129	2.2129	1.0894	4.1040	2.7105	2.5417	3.0860	2.5417	3.0860		1.7846	4.4495
H12	3.1304	2.2879	2.2879	1.0866	4.3180	3.7215	2.9720	2.5104	2.9720	2.5104	1.7846		4.2584
H13	1.9779	2.7779	2.7779	3.6443	0.9828	2.8452	3.5373	2.5521	3.5373	2.5521	4.4495	4.2584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	87.567	C1	C2	H7	118.168
C1	C2	H8	109.802	C1	C3	C4	87.567
C1	C3	H9	118.168	C1	C3	H10	109.802
C1	O5	H13	108.339	C2	C1	C3	88.528
C2	C1	O5	120.717	C2	C1	H6	109.952
C2	C4	C3	88.386	C2	C4	H11	110.982
C2	C4	H12	117.347	C3	C1	O5	120.717
C3	C1	H6	109.952	C3	C4	H11	110.982
C3	C4	H12	117.347	C4	C2	H7	118.766
C4	C2	H8	110.259	C4	C3	H9	118.766
C4	C3	H10	110.259	O5	C1	H6	106.040
H7	C2	H8	110.357	H9	C3	H10	110.357
H11	C4	H12	110.195

All results from a given calculation for C₄H₈O (Cyclobutanol)

using model chemistry: CISD/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: CISD/3-21G

States and conformations

All results from a given calculation for C₄H₈O (Cyclobutanol)