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	hartrees
Energy at 0K	-230.204275
Energy at 298.15K	-230.213922
HF Energy	-229.663825
Nuclear repulsion energy	180.739733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3444	3340
2	A	3146	3051
3	A	3130	3035
4	A	3087	2994
5	A	3076	2983
6	A	3049	2957
7	A	1566	1519
8	A	1552	1506
9	A	1426	1383
10	A	1370	1329
11	A	1268	1230
12	A	1239	1202
13	A	1111	1077
14	A	1077	1044
15	A	939	910
16	A	891	864
17	A	734	712
18	A	601	583
19	A	434	421
20	A	188	182
21	A	3129	3035
22	A	3045	2953
23	A	1537	1490
24	A	1324	1284
25	A	1287	1248
26	A	1268	1230
27	A	1196	1160
28	A	1030	999
29	A	912	885
30	A	860	835
31	A	793	769
32	A	394	382
33	A	326	316

Atom	x (Å)	y (Å)	z (Å)
C1	0.112	0.673	0.000
C2	0.112	-0.466	1.107
C3	0.112	-0.466	-1.107
C4	0.699	-1.442	0.000
O5	-0.896	1.717	0.000
H6	1.079	1.190	0.000
H7	0.686	-0.299	2.024
H8	-0.926	-0.747	1.345
H9	0.686	-0.299	-2.024
H10	-0.926	-0.747	-1.345
H11	1.796	-1.415	0.000
H12	0.342	-2.476	0.000
H13	-1.781	1.261	0.000

	C1	C2	C3	C4	O5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5885	1.5885	2.1947	1.4509	1.0967	2.3177	2.2135	2.3177	2.2135	2.6822	3.1576	1.9824
C2	1.5885		2.2136	1.5877	2.6472	2.2146	1.0948	1.1006	3.1872	2.6766	2.2270	2.3058	2.7914
C3	1.5885	2.2136		1.5877	2.6472	2.2146	3.1872	2.6766	1.0948	1.1006	2.2270	2.3058	2.7914
C4	2.1947	1.5877	1.5877		3.5384	2.6591	2.3240	2.2203	2.3240	2.2203	1.0971	1.0942	3.6680
O5	1.4509	2.6472	2.6472	3.5384		2.0438	3.2657	2.8070	3.2657	2.8070	4.1294	4.3721	0.9966
H6	1.0967	2.2146	2.2146	2.6591	2.0438		2.5435	3.0947	2.5435	3.0947	2.7017	3.7395	2.8613
H7	2.3177	1.0948	3.1872	2.3240	3.2657	2.5435		1.8051	4.0478	3.7608	2.5635	2.9920	3.5522
H8	2.2135	1.1006	2.6766	2.2203	2.8070	3.0947	1.8051		3.7608	2.6892	3.1079	2.5310	2.5631
H9	2.3177	3.1872	1.0948	2.3240	3.2657	2.5435	4.0478	3.7608		1.8051	2.5635	2.9920	3.5522
H10	2.2135	2.6766	1.1006	2.2203	2.8070	3.0947	3.7608	2.6892	1.8051		3.1079	2.5310	2.5631
H11	2.6822	2.2270	2.2270	1.0971	4.1294	2.7017	2.5635	3.1079	2.5635	3.1079		1.7996	4.4669
H12	3.1576	2.3058	2.3058	1.0942	4.3721	3.7395	2.9920	2.5310	2.9920	2.5310	1.7996		4.2980
H13	1.9824	2.7914	2.7914	3.6680	0.9966	2.8613	3.5522	2.5631	3.5522	2.5631	4.4669	4.2980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	87.417	C1	C2	H7	118.317
C1	C2	H8	109.462	C1	C3	C4	87.417
C1	C3	H9	118.317	C1	C3	H10	109.462
C1	O5	H13	106.708	C2	C1	C3	88.333
C2	C1	O5	121.078	C2	C1	H6	109.766
C2	C4	C3	88.392	C2	C4	H11	110.767
C2	C4	H12	117.402	C3	C1	O5	121.078
C3	C1	H6	109.766	C3	C4	H11	110.767
C3	C4	H12	117.402	C4	C2	H7	118.931
C4	C2	H8	110.041	C4	C3	H9	118.931
C4	C3	H10	110.041	O5	C1	H6	105.847
H7	C2	H8	110.614	H9	C3	H10	110.614
H11	C4	H12	110.425

All results from a given calculation for C₄H₈O (Cyclobutanol)

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

All results from a given calculation for C₄H₈O (Cyclobutanol)