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	hartrees
Energy at 0K	-231.718675
Energy at 298.15K	-231.728424
HF Energy	-230.948081
Nuclear repulsion energy	184.234771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3709	3558
2	A	3139	3011
3	A	3124	2997
4	A	3089	2963
5	A	3078	2953
6	A	3055	2930
7	A	1557	1493
8	A	1533	1470
9	A	1464	1404
10	A	1363	1308
11	A	1291	1239
12	A	1239	1188
13	A	1170	1122
14	A	1107	1062
15	A	1001	960
16	A	928	891
17	A	773	741
18	A	617	592
19	A	467	448
20	A	201	193
21	A	3123	2995
22	A	3050	2926
23	A	1519	1458
24	A	1325	1271
25	A	1276	1225
26	A	1263	1211
27	A	1205	1156
28	A	1061	1018
29	A	955	916
30	A	938	900
31	A	805	772
32	A	397	381
33	A	316	303

Atom	x (Å)	y (Å)	z (Å)
C1	0.110	0.660	0.000
C2	0.110	-0.451	1.080
C3	0.110	-0.451	-1.080
C4	0.693	-1.401	0.000
O5	-0.888	1.663	0.000
H6	1.068	1.198	0.000
H7	0.671	-0.282	2.008
H8	-0.924	-0.732	1.334
H9	0.671	-0.282	-2.008
H10	-0.924	-0.732	-1.334
H11	1.791	-1.381	0.000
H12	0.360	-2.446	0.000
H13	-1.749	1.207	0.000

	C1	C2	C3	C4	O5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5495	1.5495	2.1423	1.4149	1.0984	2.2880	2.1877	2.2880	2.1877	2.6445	3.1160	1.9382
C2	1.5495		2.1606	1.5526	2.5750	2.1916	1.0974	1.1011	3.1435	2.6411	2.2043	2.2826	2.7150
C3	1.5495	2.1606		1.5526	2.5750	2.1916	3.1435	2.6411	1.0974	1.1011	2.2043	2.2826	2.7150
C4	2.1423	1.5526	1.5526		3.4481	2.6265	2.2991	2.2003	2.2991	2.2003	1.0981	1.0964	3.5731
O5	1.4149	2.5750	2.5750	3.4481		2.0102	3.2011	2.7414	3.2011	2.7414	4.0553	4.2940	0.9746
H6	1.0984	2.1916	2.1916	2.6265	2.0102		2.5260	3.0775	2.5260	3.0775	2.6792	3.7123	2.8171
H7	2.2880	1.0974	3.1435	2.2991	3.2011	2.5260		1.7895	4.0162	3.7302	2.5485	2.9685	3.4797
H8	2.1877	1.1011	2.6411	2.2003	2.7414	3.0775	1.7895		3.7302	2.6673	3.0938	2.5226	2.4936
H9	2.2880	3.1435	1.0974	2.2991	3.2011	2.5260	4.0162	3.7302		1.7895	2.5485	2.9685	3.4797
H10	2.1877	2.6411	1.1011	2.2003	2.7414	3.0775	3.7302	2.6673	1.7895		3.0938	2.5226	2.4936
H11	2.6445	2.2043	2.2043	1.0981	4.0553	2.6792	2.5485	3.0938	2.5485	3.0938		1.7838	4.3855
H12	3.1160	2.2826	2.2826	1.0964	4.2940	3.7123	2.9685	2.5226	2.9685	2.5226	1.7838		4.2177
H13	1.9382	2.7150	2.7150	3.5731	0.9746	2.8171	3.4797	2.4936	3.4797	2.4936	4.3855	4.2177

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	87.355	C1	C2	H7	118.637
C1	C2	H8	110.096	C1	C3	C4	87.355
C1	C3	H9	118.637	C1	C3	H10	110.096
C1	O5	H13	106.962	C2	C1	C3	88.404
C2	C1	O5	120.532	C2	C1	H6	110.564
C2	C4	C3	88.178	C2	C4	H11	111.364
C2	C4	H12	117.978	C3	C1	O5	120.532
C3	C1	H6	110.564	C3	C4	H11	111.364
C3	C4	H12	117.978	C4	C2	H7	119.361
C4	C2	H8	110.870	C4	C3	H9	119.361
C4	C3	H10	110.870	O5	C1	H6	105.537
H7	C2	H8	108.966	H9	C3	H10	108.966
H11	C4	H12	108.744

All results from a given calculation for C₄H₈O (Cyclobutanol)

using model chemistry: QCISD(T)/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(T)/6-31G*

States and conformations

All results from a given calculation for C₄H₈O (Cyclobutanol)