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	hartrees
Energy at 0K	-230.538485
Energy at 298.15K	-230.545342
HF Energy	-229.811821
Nuclear repulsion energy	166.809475

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3205	3053	19.67
2	A'	3181	3030	3.12
3	A'	3129	2980	19.50
4	A'	3107	2960	6.37
5	A'	1858	1770	212.55
6	A'	1491	1420	0.49
7	A'	1443	1374	4.02
8	A'	1235	1177	8.20
9	A'	1221	1163	0.83
10	A'	1092	1040	0.18
11	A'	997	950	1.38
12	A'	882	840	0.81
13	A'	734	699	3.35
14	A'	678	645	2.78
15	A'	399	380	0.38
16	A'	116	111	2.41
17	A"	3186	3035	6.17
18	A"	3104	2957	11.04
19	A"	1425	1358	15.97
20	A"	1272	1211	9.46
21	A"	1239	1180	4.09
22	A"	1168	1112	1.86
23	A"	1091	1039	70.34
24	A"	948	903	0.80
25	A"	944	899	0.00
26	A"	649	618	0.12
27	A"	461	439	2.81

Atom	x (Å)	y (Å)	z (Å)
O1	-0.264	1.860	0.000
C2	0.000	0.680	0.000
C3	0.158	-0.387	1.106
C4	0.158	-0.387	-1.106
C5	-0.092	-1.456	0.000
H6	-1.138	-1.801	0.000
H7	0.577	-2.328	0.000
H8	1.198	-0.400	1.476
H9	1.198	-0.400	-1.476
H10	-0.532	-0.326	1.963
H11	-0.532	-0.326	-1.963

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.2090	2.5390	2.5390	3.3202	3.7634	4.2716	3.0693	3.0693	2.9496	2.9496
C2	1.2090		1.5444	1.5444	2.1378	2.7291	3.0630	2.1861	2.1861	2.2686	2.2686
C3	2.5390	1.5444		2.2123	1.5588	2.2141	2.2738	1.1041	2.7839	1.1014	3.1460
C4	2.5390	1.5444	2.2123		1.5588	2.2141	2.2738	2.7839	1.1041	3.1460	1.1014
C5	3.3202	2.1378	1.5588	1.5588		1.1011	1.0994	2.2268	2.2268	2.3072	2.3072
H6	3.7634	2.7291	2.2141	2.2141	1.1011		1.7942	3.0979	3.0979	2.5289	2.5289
H7	4.2716	3.0630	2.2738	2.2738	1.0994	1.7942		2.5067	2.5067	3.0154	3.0154
H8	3.0693	2.1861	1.1041	2.7839	2.2268	3.0979	2.5067		2.9522	1.7985	3.8501
H9	3.0693	2.1861	2.7839	1.1041	2.2268	3.0979	2.5067	2.9522		3.8501	1.7985
H10	2.9496	2.2686	1.1014	3.1460	2.3072	2.5289	3.0154	1.7985	3.8501		3.9255
H11	2.9496	2.2686	3.1460	1.1014	2.3072	2.5289	3.0154	3.8501	1.7985	3.9255

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	134.109	O1	C2	C4	134.109
C2	C3	C5	87.084	C2	C3	H8	110.152
C2	C3	H10	117.069	C2	C4	C5	87.084
C2	C4	H9	110.152	C2	C4	H11	117.069
C3	C2	C4	91.484	C3	C5	C4	90.404
C3	C5	H6	111.533	C3	C5	H7	116.544
C4	C5	H6	111.533	C4	C5	H7	116.544
C5	C3	H8	112.361	C5	C3	H10	119.301
C5	C4	H9	112.361	C5	C4	H11	119.301
H6	C5	H7	109.244	H8	C3	H10	109.265
H9	C4	H11	109.265

All results from a given calculation for C₄H₆O (Cyclobutanone)

using model chemistry: MP2/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 C4H6O (Cyclobutanone)

using model chemistry: MP2/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₆O (Cyclobutanone)