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	hartrees
Energy at 0K	-269.926931
Energy at 298.15K	-269.935617
HF Energy	-268.918721
Nuclear repulsion energy	229.842965

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3267	3146
2	A'	3193	3075
3	A'	3168	3050
4	A'	3162	3044
5	A'	3046	2933
6	A'	1705	1641
7	A'	1516	1460
8	A'	1484	1429
9	A'	1423	1371
10	A'	1396	1344
11	A'	1230	1184
12	A'	1196	1152
13	A'	1125	1083
14	A'	1103	1062
15	A'	976	940
16	A'	915	881
17	A'	823	793
18	A'	753	725
19	A'	588	567
20	A'	375	361
21	A'	243	234
22	A"	3253	3133
23	A"	3159	3042
24	A"	3119	3003
25	A"	1492	1436
26	A"	1483	1428
27	A"	1232	1186
28	A"	1151	1109
29	A"	1119	1077
30	A"	1057	1017
31	A"	895	862
32	A"	840	809
33	A"	600	578
34	A"	266	257
35	A"	141	135
36	A"	76	73

Atom	x (Å)	y (Å)	z (Å)
O1	-1.494	-0.551	0.000
C2	-0.283	-0.759	0.000
C3	0.303	-2.158	0.000
C4	0.701	0.366	0.000
C5	0.303	1.631	0.747
C6	0.303	1.631	-0.747
H7	-0.497	-2.899	0.000
H8	0.937	-2.292	-0.883
H9	0.937	-2.292	0.883
H10	1.752	0.098	0.000
H11	-0.661	1.598	1.240
H12	1.091	2.165	1.265
H13	-0.661	1.598	-1.240
H14	1.091	2.165	-1.265

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
O1		1.2286	2.4101	2.3789	2.9238	2.9238	2.5502	3.1170	3.1170	3.3101	2.6171	3.9564	2.6171	3.9564
C2	1.2286		1.5165	1.4945	2.5715	2.5715	2.1503	2.1485	2.1485	2.2080	2.6898	3.4686	2.6898	3.4686
C3	2.4101	1.5165		2.5550	3.8616	3.8616	1.0902	1.0950	1.0950	2.6814	4.0708	4.5717	4.0708	4.5717
C4	2.3789	1.4945	2.5550		1.5221	1.5221	3.4775	2.8104	2.8104	1.0844	2.2161	2.2327	2.2161	2.2327
C5	2.9238	2.5715	3.8616	1.5221		1.4946	4.6598	4.2948	3.9757	2.2375	1.0835	1.0829	2.2093	2.2254
C6	2.9238	2.5715	3.8616	1.5221	1.4946		4.6598	3.9757	4.2948	2.2375	2.2093	2.2254	1.0835	1.0829
H7	2.5502	2.1503	1.0902	3.4775	4.6598	4.6598		1.7898	1.7898	3.7469	4.6671	5.4546	4.6671	5.4546
H8	3.1170	2.1485	1.0950	2.8104	4.2948	3.9757	1.7898		1.7655	2.6751	4.7104	4.9489	4.2200	4.4750
H9	3.1170	2.1485	1.0950	2.8104	3.9757	4.2948	1.7898	1.7655		2.6751	4.2200	4.4750	4.7104	4.9489
H10	3.3101	2.2080	2.6814	1.0844	2.2375	2.2375	3.7469	2.6751	2.6751		3.1000	2.5110	3.1000	2.5110
H11	2.6171	2.6898	4.0708	2.2161	1.0835	2.2093	4.6671	4.7104	4.2200	3.1000		1.8415	2.4805	3.1088
H12	3.9564	3.4686	4.5717	2.2327	1.0829	2.2254	5.4546	4.9489	4.4750	2.5110	1.8415		3.1088	2.5291
H13	2.6171	2.6898	4.0708	2.2161	2.2093	1.0835	4.6671	4.2200	4.7104	3.1000	2.4805	3.1088		1.8415
H14	3.9564	3.4686	4.5717	2.2327	2.2254	1.0829	5.4546	4.4750	4.9489	2.5110	3.1088	2.5291	1.8415

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	122.446	O1	C2	C4	121.447
C2	C3	H7	110.089	C2	C3	H8	109.657
C2	C3	H9	109.657	C2	C4	C5	116.954
C2	C4	C6	116.954	C2	C4	H10	116.882
C3	C2	C4	116.107	C4	C5	C6	60.596
C4	C5	H11	115.514	C4	C5	H12	116.981
C4	C6	C5	60.596	C4	C6	H13	115.514
C4	C6	H14	116.981	C5	C4	C6	58.809
C5	C4	H10	117.298	C5	C6	H13	117.063
C5	C6	H14	118.533	C6	C4	H10	117.298
C6	C5	H11	117.063	C6	C5	H12	118.533
H7	C3	H8	109.976	H7	C3	H9	109.976
H8	C3	H9	107.442	H11	C5	H12	116.431
H13	C6	H14	116.431

All results from a given calculation for C₅H₈O (Methyl cyclopropyl ketone)

using model chemistry: MP4/TZVP

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 C5H8O (Methyl cyclopropyl ketone)

using model chemistry: MP4/TZVP

States and conformations

All results from a given calculation for C₅H₈O (Methyl cyclopropyl ketone)