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	hartrees
Energy at 0K	-231.734449
Energy at 298.15K	-231.744248
HF Energy	-230.969952
Nuclear repulsion energy	184.541478

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3833	3643	20.62
2	A	3197	3039	39.42
3	A	3179	3022	17.98
4	A	3128	2973	21.85
5	A	3122	2967	22.32
6	A	3097	2944	17.36
7	A	1512	1437	11.76
8	A	1482	1408	7.66
9	A	1445	1373	72.29
10	A	1349	1282	2.10
11	A	1271	1208	27.48
12	A	1222	1161	1.37
13	A	1182	1123	94.74
14	A	1094	1040	43.72
15	A	1010	960	11.15
16	A	925	879	0.95
17	A	764	726	3.63
18	A	607	577	2.42
19	A	467	444	4.47
20	A	213	202	2.09
21	A	3179	3022	29.85
22	A	3094	2940	31.07
23	A	1467	1394	1.54
24	A	1299	1234	0.92
25	A	1254	1192	0.48
26	A	1245	1184	0.21
27	A	1184	1125	0.00
28	A	1059	1006	10.13
29	A	947	900	4.03
30	A	937	891	0.89
31	A	792	752	0.57
32	A	409	388	54.98
33	A	322	306	53.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.097	0.656	0.000
C2	0.097	-0.457	1.078
C3	0.097	-0.457	-1.078
C4	0.717	-1.386	0.000
O5	-0.877	1.667	0.000
H6	1.071	1.174	0.000
H7	0.632	-0.287	2.024
H8	-0.941	-0.764	1.294
H9	0.632	-0.287	-2.024
H10	-0.941	-0.764	-1.294
H11	1.816	-1.313	0.000
H12	0.428	-2.447	0.000
H13	-1.731	1.213	0.000

	C1	C2	C3	C4	O5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5492	1.5492	2.1339	1.4047	1.1025	2.2961	2.1837	2.2961	2.1837	2.6132	3.1202	1.9117
C2	1.5492		2.1550	1.5517	2.5738	2.1835	1.1005	1.1044	3.1522	2.6071	2.2014	2.2866	2.7007
C3	1.5492	2.1550		1.5517	2.5738	2.1835	3.1522	2.6071	1.1005	1.1044	2.2014	2.2866	2.7007
C4	2.1339	1.5517	1.5517		3.4445	2.5840	2.3053	2.1934	2.3053	2.1934	1.1015	1.0993	3.5703
O5	1.4047	2.5738	2.5738	3.4445		2.0099	3.1927	2.7546	3.1927	2.7546	4.0168	4.3161	0.9676
H6	1.1025	2.1835	2.1835	2.5840	2.0099		2.5345	3.0783	2.5345	3.0783	2.5955	3.6769	2.8026
H7	2.2961	1.1005	3.1522	2.3053	3.1927	2.5345		1.7985	4.0489	3.7032	2.5601	2.9675	3.4539
H8	2.1837	1.1044	2.6071	2.1934	2.7546	3.0783	1.7985		3.7032	2.5881	3.0947	2.5261	2.4908
H9	2.2961	3.1522	1.1005	2.3053	3.1927	2.5345	4.0489	3.7032		1.7985	2.5601	2.9675	3.4539
H10	2.1837	2.6071	1.1044	2.1934	2.7546	3.0783	3.7032	2.5881	1.7985		3.0947	2.5261	2.4908
H11	2.6132	2.2014	2.2014	1.1015	4.0168	2.5955	2.5601	3.0947	2.5601	3.0947		1.7924	4.3544
H12	3.1202	2.2866	2.2866	1.0993	4.3161	3.6769	2.9675	2.5261	2.9675	2.5261	1.7924		4.2488
H13	1.9117	2.7007	2.7007	3.5703	0.9676	2.8026	3.4539	2.4908	3.4539	2.4908	4.3544	4.2488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	86.972	C1	C2	H7	119.157
C1	C2	H8	109.618	C1	C3	C4	86.972
C1	C3	H9	119.157	C1	C3	H10	109.618
C1	O5	H13	105.911	C2	C1	C3	88.141
C2	C1	O5	121.153	C2	C1	H6	109.711
C2	C4	C3	87.963	C2	C4	H11	111.002
C2	C4	H12	118.209	C3	C1	O5	121.153
C3	C1	H6	109.711	C3	C4	H11	111.002
C3	C4	H12	118.209	C4	C2	H7	119.774
C4	C2	H8	110.204	C4	C3	H9	119.774
C4	C3	H10	110.204	O5	C1	H6	105.947
H7	C2	H8	109.315	H9	C3	H10	109.315
H11	C4	H12	109.062

All results from a given calculation for C₄H₈O (Cyclobutanol)

using model chemistry: MP2=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₈O (Cyclobutanol)