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	hartrees
Energy at 0K	-231.684980
Energy at 298.15K	-231.694790
HF Energy	-230.949231
Nuclear repulsion energy	184.814606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3797	3564	12.94
2	A	3194	2998	51.36
3	A	3179	2984	16.51
4	A	3144	2951	16.30
5	A	3134	2942	24.39
6	A	3110	2919	17.23
7	A	1578	1481	6.84
8	A	1552	1457	5.95
9	A	1489	1398	79.08
10	A	1385	1300	1.47
11	A	1315	1234	21.96
12	A	1255	1178	0.11
13	A	1200	1126	99.74
14	A	1124	1055	50.16
15	A	1020	958	10.14
16	A	943	885	2.07
17	A	786	738	4.16
18	A	628	590	2.65
19	A	474	445	5.18
20	A	201	189	2.13
21	A	3178	2983	31.26
22	A	3106	2915	29.01
23	A	1540	1445	1.87
24	A	1348	1265	0.80
25	A	1297	1217	0.87
26	A	1283	1204	0.13
27	A	1226	1151	0.00
28	A	1083	1016	10.92
29	A	973	913	5.61
30	A	958	899	0.07
31	A	816	766	0.71
32	A	402	377	48.75
33	A	315	296	79.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.112	0.659	0.000
C2	0.112	-0.447	1.078
C3	0.112	-0.447	-1.078
C4	0.683	-1.401	0.000
O5	-0.883	1.656	0.000
H6	1.066	1.194	0.000
H7	0.678	-0.280	1.998
H8	-0.918	-0.723	1.340
H9	0.678	-0.280	-1.998
H10	-0.918	-0.723	-1.340
H11	1.777	-1.398	0.000
H12	0.336	-2.437	0.000
H13	-1.743	1.208	0.000

	C1	C2	C3	C4	O5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5450	1.5450	2.1382	1.4085	1.0943	2.2796	2.1825	2.2796	2.1825	2.6470	3.1042	1.9339
C2	1.5450		2.1566	1.5491	2.5646	2.1835	1.0933	1.0969	3.1328	2.6422	2.2003	2.2741	2.7094
C3	1.5450	2.1566		1.5491	2.5646	2.1835	3.1328	2.6422	1.0933	1.0969	2.2003	2.2741	2.7094
C4	2.1382	1.5491	1.5491		3.4355	2.6232	2.2913	2.1950	2.2913	2.1950	1.0939	1.0924	3.5629
O5	1.4085	2.5646	2.5646	3.4355		2.0036	3.1907	2.7304	3.1907	2.7304	4.0505	4.2709	0.9695
H6	1.0943	2.1835	2.1835	2.6232	2.0036		2.5133	3.0665	2.5133	3.0665	2.6876	3.7035	2.8091
H7	2.2796	1.0933	3.1328	2.2913	3.1907	2.5133		1.7820	3.9967	3.7261	2.5400	2.9601	3.4739
H8	2.1825	1.0969	2.6422	2.1950	2.7304	3.0665	1.7820		3.7261	2.6792	3.0843	2.5108	2.4905
H9	2.2796	3.1328	1.0933	2.2913	3.1907	2.5133	3.9967	3.7261		1.7820	2.5400	2.9601	3.4739
H10	2.1825	2.6422	1.0969	2.1950	2.7304	3.0665	3.7261	2.6792	1.7820		3.0843	2.5108	2.4905
H11	2.6470	2.2003	2.2003	1.0939	4.0505	2.6876	2.5400	3.0843	2.5400	3.0843		1.7767	4.3797
H12	3.1042	2.2741	2.2741	1.0924	4.2709	3.7035	2.9601	2.5108	2.9601	2.5108	1.7767		4.1959
H13	1.9339	2.7094	2.7094	3.5629	0.9695	2.8091	3.4739	2.4905	3.4739	2.4905	4.3797	4.1959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	87.429	C1	C2	H7	118.545
C1	C2	H8	110.248	C1	C3	C4	87.429
C1	C3	H9	118.545	C1	C3	H10	110.248
C1	O5	H13	107.386	C2	C1	C3	88.526
C2	C1	O5	120.463	C2	C1	H6	110.486
C2	C4	C3	88.227	C2	C4	H11	111.552
C2	C4	H12	117.801	C3	C1	O5	120.463
C3	C1	H6	110.486	C3	C4	H11	111.552
C3	C4	H12	117.801	C4	C2	H7	119.251
C4	C2	H8	110.949	C4	C3	H9	119.251
C4	C3	H10	110.949	O5	C1	H6	105.678
H7	C2	H8	108.909	H9	C3	H10	108.909
H11	C4	H12	108.714

All results from a given calculation for C₄H₈O (Cyclobutanol)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for C₄H₈O (Cyclobutanol)