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	hartrees
Energy at 0K	-231.755632
Energy at 298.15K	-231.765427
HF Energy	-230.972788
Nuclear repulsion energy	185.236788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3860	3625	22.56
2	A	3228	3032	46.31
3	A	3211	3016	16.97
4	A	3171	2979	13.99
5	A	3154	2963	28.31
6	A	3133	2942	16.70
7	A	1559	1464	5.23
8	A	1534	1440	5.75
9	A	1449	1360	62.06
10	A	1342	1260	3.33
11	A	1296	1217	21.96
12	A	1238	1162	0.05
13	A	1169	1098	92.46
14	A	1101	1034	67.40
15	A	1009	947	21.22
16	A	939	882	2.81
17	A	778	731	4.40
18	A	615	577	3.29
19	A	473	444	5.05
20	A	212	199	2.44
21	A	3211	3016	32.97
22	A	3129	2939	34.49
23	A	1522	1429	1.82
24	A	1330	1249	0.10
25	A	1281	1203	0.49
26	A	1270	1193	0.38
27	A	1212	1138	0.06
28	A	1076	1010	9.10
29	A	963	904	4.92
30	A	947	889	0.01
31	A	813	764	0.69
32	A	400	376	44.75
33	A	300	282	82.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.104	0.649	0.000
C2	0.104	-0.453	1.073
C3	0.104	-0.453	-1.073
C4	0.712	-1.384	0.000
O5	-0.889	1.658	0.000
H6	1.055	1.181	0.000
H7	0.645	-0.278	2.002
H8	-0.920	-0.753	1.302
H9	0.645	-0.278	-2.002
H10	-0.920	-0.753	-1.302
H11	1.800	-1.331	0.000
H12	0.407	-2.428	0.000
H13	-1.752	1.225	0.000

	C1	C2	C3	C4	O5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5385	1.5385	2.1216	1.4158	1.0896	2.2711	2.1704	2.2711	2.1704	2.6066	3.0914	1.9440
C2	1.5385		2.1466	1.5449	2.5684	2.1744	1.0882	1.0918	3.1268	2.6045	2.1900	2.2674	2.7234
C3	1.5385	2.1466		1.5449	2.5684	2.1744	3.1268	2.6045	1.0882	1.0918	2.1900	2.2674	2.7234
C4	2.1216	1.5449	1.5449		3.4373	2.5879	2.2875	2.1814	2.2875	2.1814	1.0890	1.0873	3.5887
O5	1.4158	2.5684	2.5684	3.4373		2.0012	3.1791	2.7404	3.1791	2.7404	4.0202	4.2865	0.9663
H6	1.0896	2.1744	2.1744	2.5879	2.0012		2.5109	3.0559	2.5109	3.0559	2.6203	3.6665	2.8077
H7	2.2711	1.0882	3.1268	2.2875	3.1791	2.5109		1.7785	4.0030	3.6864	2.5393	2.9465	3.4658
H8	2.1704	1.0918	2.6045	2.1814	2.7404	3.0559	1.7785		3.6864	2.6047	3.0706	2.5028	2.5100
H9	2.2711	3.1268	1.0882	2.2875	3.1791	2.5109	4.0030	3.6864		1.7785	2.5393	2.9465	3.4658
H10	2.1704	2.6045	1.0918	2.1814	2.7404	3.0559	3.6864	2.6047	1.7785		3.0706	2.5028	2.5100
H11	2.6066	2.1900	2.1900	1.0890	4.0202	2.6203	2.5393	3.0706	2.5393	3.0706		1.7722	4.3761
H12	3.0914	2.2674	2.2674	1.0873	4.2865	3.6665	2.9465	2.5028	2.9465	2.5028	1.7722		4.2435
H13	1.9440	2.7234	2.7234	3.5887	0.9663	2.8077	3.4658	2.5100	3.4658	2.5100	4.3761	4.2435

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	86.953	C1	C2	H7	118.671
C1	C2	H8	110.047	C1	C3	C4	86.953
C1	C3	H9	118.671	C1	C3	H10	110.047
C1	O5	H13	107.899	C2	C1	C3	88.470
C2	C1	O5	120.715	C2	C1	H6	110.490
C2	C4	C3	88.013	C2	C4	H11	111.322
C2	C4	H12	117.908	C3	C1	O5	120.715
C3	C1	H6	110.490	C3	C4	H11	111.322
C3	C4	H12	117.908	C4	C2	H7	119.622
C4	C2	H8	110.468	C4	C3	H9	119.622
C4	C3	H10	110.468	O5	C1	H6	105.283
H7	C2	H8	109.337	H9	C3	H10	109.337
H11	C4	H12	109.035

All results from a given calculation for C₄H₈O (Cyclobutanol)

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

All results from a given calculation for C₄H₈O (Cyclobutanol)