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	hartrees
Energy at 0K	-42.988385
Energy at 298.15K	-42.998135
HF Energy	-42.276547
Nuclear repulsion energy	103.179950

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3772	3594	15.54
2	A	3175	3025	65.70
3	A	3157	3008	23.52
4	A	3127	2980	10.75
5	A	3099	2953	31.84
6	A	3077	2931	22.19
7	A	1548	1475	7.40
8	A	1523	1451	6.31
9	A	1455	1386	72.89
10	A	1350	1286	3.55
11	A	1280	1220	26.40
12	A	1229	1171	0.06
13	A	1155	1100	93.18
14	A	1100	1048	66.07
15	A	995	948	16.63
16	A	923	880	2.36
17	A	761	725	4.45
18	A	604	575	3.12
19	A	467	445	5.11
20	A	208	198	2.45
21	A	3156	3007	39.37
22	A	3073	2928	41.92
23	A	1509	1437	2.27
24	A	1318	1256	0.37
25	A	1263	1204	0.88
26	A	1249	1190	0.15
27	A	1190	1134	0.08
28	A	1057	1007	10.81
29	A	944	899	5.64
30	A	930	886	0.01
31	A	790	753	0.71
32	A	398	379	57.73
33	A	317	302	68.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.116	0.658	0.000
C2	0.116	-0.454	1.084
C3	0.116	-0.454	-1.084
C4	0.727	-1.395	0.000
O5	-0.891	1.670	0.000
H6	1.068	1.199	0.000
H7	0.661	-0.278	2.017
H8	-0.916	-0.752	1.314
H9	0.661	-0.278	-2.017
H10	-0.916	-0.752	-1.314
H11	1.821	-1.342	0.000
H12	0.418	-2.445	0.000
H13	-1.748	1.207	0.000

	C1	C2	C3	C4	O5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5529	1.5529	2.1426	1.4273	1.0954	2.2891	2.1864	2.2891	2.1864	2.6284	3.1179	1.9432
C2	1.5529		2.1676	1.5602	2.5881	2.1943	1.0948	1.0985	3.1529	2.6275	2.2069	2.2870	2.7218
C3	1.5529	2.1676		1.5602	2.5881	2.1943	3.1529	2.6275	1.0948	1.0985	2.2069	2.2870	2.7218
C4	2.1426	1.5602	1.5602		3.4659	2.6171	2.3065	2.2000	2.3065	2.2000	1.0953	1.0939	3.5915
O5	1.4273	2.5881	2.5881	3.4659		2.0153	3.2046	2.7553	3.2046	2.7553	4.0530	4.3180	0.9739
H6	1.0954	2.1943	2.1943	2.6171	2.0153		2.5325	3.0777	2.5325	3.0777	2.6506	3.7018	2.8166
H7	2.2891	1.0948	3.1529	2.3065	3.2046	2.5325		1.7907	4.0331	3.7157	2.5580	2.9702	3.4753
H8	2.1864	1.0985	2.6275	2.2000	2.7553	3.0777	1.7907		3.7157	2.6283	3.0928	2.5247	2.5015
H9	2.2891	3.1529	1.0948	2.3065	3.2046	2.5325	4.0331	3.7157		1.7907	2.5580	2.9702	3.4753
H10	2.1864	2.6275	1.0985	2.2000	2.7553	3.0777	3.7157	2.6283	1.7907		3.0928	2.5247	2.5015
H11	2.6284	2.2069	2.2069	1.0953	4.0530	2.6506	2.5580	3.0928	2.5580	3.0928		1.7840	4.3860
H12	3.1179	2.2870	2.2870	1.0939	4.3180	3.7018	2.9702	2.5247	2.9702	2.5247	1.7840		4.2464
H13	1.9432	2.7218	2.7218	3.5915	0.9739	2.8166	3.4753	2.5015	3.4753	2.5015	4.3860	4.2464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	86.983	C1	C2	H7	118.641
C1	C2	H8	109.917	C1	C3	C4	86.983
C1	C3	H9	118.641	C1	C3	H10	109.917
C1	O5	H13	106.519	C2	C1	C3	88.519
C2	C1	O5	120.497	C2	C1	H6	110.718
C2	C4	C3	87.998	C2	C4	H11	111.212
C2	C4	H12	117.941	C3	C1	O5	120.497
C3	C1	H6	110.718	C3	C4	H11	111.212
C3	C4	H12	117.941	C4	C2	H7	119.589
C4	C2	H8	110.475	C4	C3	H9	119.589
C4	C3	H10	110.475	O5	C1	H6	105.278
H7	C2	H8	109.457	H9	C3	H10	109.457
H11	C4	H12	109.158

All results from a given calculation for C₄H₈O (Cyclobutanol)

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

All results from a given calculation for C₄H₈O (Cyclobutanol)