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	hartrees
Energy at 0K	-265.809279
Energy at 298.15K	-265.817544
HF Energy	-265.472866
Nuclear repulsion energy	223.826061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3611	3149	0.16
2	A'	3558	3102	0.75
3	A'	3512	3062	0.64
4	A'	3457	3014	0.96
5	A'	3366	2935	0.02
6	A'	1768	1541	5.93
7	A'	1706	1487	4.74
8	A'	1666	1452	5.71
9	A'	1583	1381	1.78
10	A'	1526	1331	20.68
11	A'	1336	1164	5.07
12	A'	1260	1098	21.98
13	A'	1258	1097	72.78
14	A'	1193	1040	3.73
15	A'	1088	949	12.13
16	A'	1029	897	0.38
17	A'	861	751	0.12
18	A'	789	688	1.05
19	A'	584	509	8.44
20	A'	363	317	0.79
21	A'	209	183	0.99
22	A"	3607	3145	0.01
23	A"	3544	3090	0.69
24	A"	3448	3006	1.81
25	A"	1713	1494	2.55
26	A"	1626	1418	0.08
27	A"	1331	1160	0.00
28	A"	1280	1116	0.05
29	A"	1243	1084	0.25
30	A"	1147	1000	0.87
31	A"	1051	917	2.33
32	A"	915	798	0.72
33	A"	594	518	0.37
34	A"	248	216	0.08
35	A"	148	129	0.01
36	A"	34	30	0.45

Atom	x (Å)	y (Å)	z (Å)
O1	-1.562	-0.593	0.000
C2	-0.312	-0.784	0.000
C3	0.331	-2.213	0.000
C4	0.701	0.394	0.000
C5	0.331	1.678	0.762
C6	0.331	1.678	-0.762
H7	-0.455	-2.987	0.000
H8	0.965	-2.344	-0.894
H9	0.965	-2.344	0.894
H10	1.762	0.101	0.000
H11	-0.645	1.691	1.267
H12	1.131	2.215	1.288
H13	-0.645	1.691	-1.267
H14	1.131	2.215	-1.288

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
O1		1.2643	2.4915	2.4695	3.0532	3.0532	2.6369	3.2020	3.2020	3.3958	2.7688	4.0990	2.7688	4.0990
C2	1.2643		1.5671	1.5538	2.6559	2.6559	2.2074	2.2058	2.2058	2.2551	2.8005	3.5690	2.8005	3.5690
C3	2.4915	1.5671		2.6328	3.9645	3.9645	1.1033	1.1040	1.1040	2.7208	4.2191	4.6806	4.2191	4.6806
C4	2.4695	1.5538	2.6328		1.5383	1.5383	3.5728	2.8920	2.8920	1.0999	2.2588	2.2721	2.2588	2.2721
C5	3.0532	2.6559	3.9645	1.5383		1.5240	4.7912	4.3953	4.0735	2.2612	1.0990	1.0983	2.2517	2.2656
C6	3.0532	2.6559	3.9645	1.5383	1.5240		4.7912	4.0735	4.3953	2.2612	2.2517	2.2656	1.0990	1.0983
H7	2.6369	2.2074	1.1033	3.5728	4.7912	4.7912		1.7974	1.7974	3.8015	4.8502	5.5890	4.8502	5.5890
H8	3.2020	2.2058	1.1040	2.8920	4.3953	4.0735	1.7974		1.7880	2.7227	4.8525	5.0573	4.3607	4.5792
H9	3.2020	2.2058	1.1040	2.8920	4.0735	4.3953	1.7974	1.7880		2.7227	4.3607	4.5792	4.8525	5.0573
H10	3.3958	2.2551	2.7208	1.0999	2.2612	2.2612	3.8015	2.7227	2.7227		3.1506	2.5546	3.1506	2.5546
H11	2.7688	2.8005	4.2191	2.2588	1.0990	2.2517	4.8502	4.8525	4.3607	3.1506		1.8519	2.5342	3.1558
H12	4.0990	3.5690	4.6806	2.2721	1.0983	2.2656	5.5890	5.0573	4.5792	2.5546	1.8519		3.1558	2.5766
H13	2.7688	2.8005	4.2191	2.2588	2.2517	1.0990	4.8502	4.3607	4.8525	3.1506	2.5342	3.1558		1.8519
H14	4.0990	3.5690	4.6806	2.2721	2.2656	1.0983	5.5890	4.5792	5.0573	2.5546	3.1558	2.5766	1.8519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	122.908	O1	C2	C4	122.056
C2	C3	H7	110.300	C2	C3	H8	110.132
C2	C3	H9	110.132	C2	C4	C5	118.387
C2	C4	C6	118.387	C2	C4	H10	115.310
C3	C2	C4	115.036	C4	C5	C6	60.308
C4	C5	H11	116.862	C4	C5	H12	118.062
C4	C6	C5	60.308	C4	C6	H13	116.862
C4	C6	H14	118.062	C5	C4	C6	59.384
C5	C4	H10	117.002	C5	C6	H13	117.361
C5	C6	H14	118.633	C6	C4	H10	117.002
C6	C5	H11	117.361	C6	C5	H12	118.633
H7	C3	H8	109.042	H7	C3	H9	109.042
H8	C3	H9	108.148	H11	C5	H12	114.880
H13	C6	H14	114.880

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

using model chemistry: MP2/STO-3G

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: MP2/STO-3G

States and conformations

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