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	hartrees
Energy at 0K	-231.697430
Energy at 298.15K	-231.707216
HF Energy	-230.948658
Nuclear repulsion energy	184.532328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3745	3566	10.32
2	A	3155	3005	59.86
3	A	3141	2991	16.10
4	A	3108	2960	16.22
5	A	3096	2949	25.95
6	A	3073	2927	19.64
7	A	1567	1492	5.96
8	A	1541	1468	5.58
9	A	1477	1406	75.21
10	A	1375	1309	1.53
11	A	1306	1244	20.19
12	A	1248	1188	0.04
13	A	1185	1129	97.15
14	A	1117	1064	51.52
15	A	1011	963	11.27
16	A	937	892	1.78
17	A	780	743	4.13
18	A	624	594	2.66
19	A	471	448	5.11
20	A	200	191	2.11
21	A	3140	2990	34.90
22	A	3069	2922	31.49
23	A	1529	1456	1.44
24	A	1339	1275	0.91
25	A	1289	1228	0.75
26	A	1276	1215	0.14
27	A	1218	1160	0.00
28	A	1075	1024	10.47
29	A	966	920	5.79
30	A	950	904	0.05
31	A	811	773	0.70
32	A	400	381	52.25
33	A	317	302	74.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.111	0.659	0.000
C2	0.111	-0.448	1.079
C3	0.111	-0.448	-1.079
C4	0.685	-1.402	0.000
O5	-0.884	1.661	0.000
H6	1.067	1.197	0.000
H7	0.678	-0.281	2.002
H8	-0.920	-0.726	1.340
H9	0.678	-0.281	-2.002
H10	-0.920	-0.726	-1.340
H11	1.782	-1.398	0.000
H12	0.339	-2.441	0.000
H13	-1.746	1.210	0.000

	C1	C2	C3	C4	O5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5461	1.5461	2.1395	1.4123	1.0967	2.2831	2.1857	2.2831	2.1857	2.6494	3.1086	1.9375
C2	1.5461		2.1579	1.5501	2.5697	2.1872	1.0959	1.0995	3.1372	2.6444	2.2033	2.2776	2.7138
C3	1.5461	2.1579		1.5501	2.5697	2.1872	3.1372	2.6444	1.0959	1.0995	2.2033	2.2776	2.7138
C4	2.1395	1.5501	1.5501		3.4414	2.6266	2.2949	2.1977	2.2949	2.1977	1.0966	1.0951	3.5684
O5	1.4123	2.5697	2.5697	3.4414		2.0062	3.1964	2.7370	3.1964	2.7370	4.0570	4.2804	0.9725
H6	1.0967	2.1872	2.1872	2.6266	2.0062		2.5185	3.0726	2.5185	3.0726	2.6906	3.7099	2.8136
H7	2.2831	1.0959	3.1372	2.2949	3.1964	2.5185		1.7856	4.0044	3.7312	2.5446	2.9649	3.4792
H8	2.1857	1.0995	2.6444	2.1977	2.7370	3.0726	1.7856		3.7312	2.6804	3.0898	2.5150	2.4950
H9	2.2831	3.1372	1.0959	2.2949	3.1964	2.5185	4.0044	3.7312		1.7856	2.5446	2.9649	3.4792
H10	2.1857	2.6444	1.0995	2.1977	2.7370	3.0726	3.7312	2.6804	1.7856		3.0898	2.5150	2.4950
H11	2.6494	2.2033	2.2033	1.0966	4.0570	2.6906	2.5446	3.0898	2.5446	3.0898		1.7803	4.3868
H12	3.1086	2.2776	2.2776	1.0951	4.2804	3.7099	2.9649	2.5150	2.9649	2.5150	1.7803		4.2047
H13	1.9375	2.7138	2.7138	3.5684	0.9725	2.8136	3.4792	2.4950	3.4792	2.4950	4.3868	4.2047

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	87.418	C1	C2	H7	118.575
C1	C2	H8	110.268	C1	C3	C4	87.418
C1	C3	H9	118.575	C1	C3	H10	110.268
C1	O5	H13	107.228	C2	C1	C3	88.509
C2	C1	O5	120.524	C2	C1	H6	110.550
C2	C4	C3	88.222	C2	C4	H11	111.559
C2	C4	H12	117.840	C3	C1	O5	120.524
C3	C1	H6	110.550	C3	C4	H11	111.559
C3	C4	H12	117.840	C4	C2	H7	119.295
C4	C2	H8	110.938	C4	C3	H9	119.295
C4	C3	H10	110.938	O5	C1	H6	105.490
H7	C2	H8	108.848	H9	C3	H10	108.848
H11	C4	H12	108.644

All results from a given calculation for C₄H₈O (Cyclobutanol)

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

All results from a given calculation for C₄H₈O (Cyclobutanol)