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	hartrees
Energy at 0K	-230.968324
Energy at 298.15K	-230.978305
Nuclear repulsion energy	186.001182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4176	3769	30.95
2	A	3277	2958	108.00
3	A	3262	2944	18.49
4	A	3238	2923	12.22
5	A	3218	2905	33.68
6	A	3197	2885	32.25
7	A	1652	1491	10.01
8	A	1618	1460	3.58
9	A	1570	1417	92.23
10	A	1448	1307	1.02
11	A	1400	1264	14.93
12	A	1322	1193	0.21
13	A	1261	1138	154.55
14	A	1179	1064	34.27
15	A	1050	948	8.39
16	A	980	884	1.73
17	A	817	738	4.90
18	A	662	597	3.22
19	A	493	445	5.58
20	A	192	173	1.93
21	A	3257	2940	46.26
22	A	3191	2880	50.50
23	A	1610	1453	0.89
24	A	1436	1296	2.61
25	A	1384	1250	0.46
26	A	1369	1236	0.32
27	A	1306	1179	0.04
28	A	1140	1029	12.65
29	A	1022	923	6.46
30	A	989	893	0.30
31	A	851	768	0.31
32	A	422	381	36.51
33	A	321	290	102.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.116	0.662	0.000
C2	0.116	-0.438	1.077
C3	0.116	-0.438	-1.077
C4	0.654	-1.407	0.000
O5	-0.871	1.640	0.000
H6	1.061	1.193	0.000
H7	0.701	-0.277	1.975
H8	-0.900	-0.698	1.364
H9	0.701	-0.277	-1.975
H10	-0.900	-0.698	-1.364
H11	1.738	-1.449	0.000
H12	0.270	-2.419	0.000
H13	-1.722	1.232	0.000

	C1	C2	C3	C4	O5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5394	1.5394	2.1380	1.3894	1.0833	2.2640	2.1774	2.2640	2.1774	2.6623	3.0853	1.9244
C2	1.5394		2.1532	1.5451	2.5400	2.1704	1.0839	1.0874	3.1114	2.6560	2.1935	2.2600	2.7070
C3	1.5394	2.1532		1.5451	2.5400	2.1704	3.1114	2.6560	1.0839	1.0874	2.1935	2.2600	2.7070
C4	2.1380	1.5451	1.5451		3.4074	2.6311	2.2757	2.1861	2.2757	2.1861	1.0846	1.0829	3.5514
O5	1.3894	2.5400	2.5400	3.4074		1.9830	3.1698	2.7062	3.1698	2.7062	4.0433	4.2164	0.9432
H6	1.0833	2.1704	2.1704	2.6311	1.9830		2.4884	3.0458	2.4884	3.0458	2.7269	3.6974	2.7829
H7	2.2640	1.0839	3.1114	2.2757	3.1698	2.4884		1.7642	3.9503	3.7264	2.5199	2.9451	3.4712
H8	2.1774	1.0874	2.6560	2.1861	2.7062	3.0458	1.7642		3.7264	2.7272	3.0634	2.4884	2.5018
H9	2.2640	3.1114	1.0839	2.2757	3.1698	2.4884	3.9503	3.7264		1.7642	2.5199	2.9451	3.4712
H10	2.1774	2.6560	1.0874	2.1861	2.7062	3.0458	3.7264	2.7272	1.7642		3.0634	2.4884	2.5018
H11	2.6623	2.1935	2.1935	1.0846	4.0433	2.7269	2.5199	3.0634	2.5199	3.0634		1.7600	4.3773
H12	3.0853	2.2600	2.2600	1.0829	4.2164	3.6974	2.9451	2.4884	2.9451	2.4884	1.7600		4.1594
H13	1.9244	2.7070	2.7070	3.5514	0.9432	2.7829	3.4712	2.5018	3.4712	2.5018	4.3773	4.1594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	87.759	C1	C2	H7	118.284
C1	C2	H8	110.799	C1	C3	C4	87.759
C1	C3	H9	118.284	C1	C3	H10	110.799
C1	O5	H13	109.689	C2	C1	C3	88.749
C2	C1	O5	120.193	C2	C1	H6	110.483
C2	C4	C3	88.339	C2	C4	H11	111.859
C2	C4	H12	117.545	C3	C1	O5	120.193
C3	C1	H6	110.483	C3	C4	H11	111.859
C3	C4	H12	117.545	C4	C2	H7	118.866
C4	C2	H8	111.093	C4	C3	H9	118.866
C4	C3	H10	111.093	O5	C1	H6	105.972
H7	C2	H8	108.691	H9	C3	H10	108.691
H11	C4	H12	108.585

All results from a given calculation for C₄H₈O (Cyclobutanol)

using model chemistry: HF/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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Number	Element	Mulliken	CHELPG
1	C	0.239	0.012
2	C	-0.251	-0.016
3	C	-0.251	0.074
4	C	-0.250	0.038
5	O	-0.649	0.034
6	H	0.126	-0.180
7	H	0.123	-0.069
8	H	0.109	0.442
9	H	0.123	0.026
10	H	0.109	0.051
11	H	0.125	-0.127
12	H	0.121	0.409
13	H	0.328	-0.692

	x	y	z	Total
	-0.300	-1.710	0.000	1.737
CHELPG
AIM
ESP

	x	y	z
x	6.302	-0.248	0.000
y	-0.248	6.228	0.000
z	0.000	0.000	6.172

<r²>	108.475
(<r²>)^1/2	10.415

All results from a given calculation for C4H8O (Cyclobutanol)

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

States and conformations

All results from a given calculation for C₄H₈O (Cyclobutanol)