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	hartrees
Energy at 0K	-267.961900
Energy at 298.15K	-267.970575
HF Energy	-267.319882
Nuclear repulsion energy	227.585991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3253	3155
2	A'	3194	3097
3	A'	3151	3056
4	A'	3133	3038
5	A'	3027	2936
6	A'	1623	1574
7	A'	1538	1492
8	A'	1519	1473
9	A'	1440	1396
10	A'	1392	1350
11	A'	1195	1159
12	A'	1173	1138
13	A'	1123	1089
14	A'	1103	1069
15	A'	969	940
16	A'	860	834
17	A'	826	801
18	A'	742	719
19	A'	572	555
20	A'	376	365
21	A'	249	241
22	A"	3238	3140
23	A"	3147	3052
24	A"	3089	2996
25	A"	1557	1510
26	A"	1510	1464
27	A"	1240	1202
28	A"	1166	1131
29	A"	1154	1119
30	A"	1095	1062
31	A"	916	888
32	A"	794	770
33	A"	629	610
34	A"	266	258
35	A"	155	151
36	A"	68	66

Atom	x (Å)	y (Å)	z (Å)
O1	-1.347	-0.847	0.000
C2	-0.088	-0.798	0.000
C3	0.793	-2.057	0.000
C4	0.637	0.519	0.000
C5	-0.088	1.656	0.762
C6	-0.088	1.656	-0.762
H7	0.149	-2.944	0.000
H8	1.439	-2.062	-0.892
H9	1.439	-2.062	0.892
H10	1.723	0.493	0.000
H11	-1.012	1.359	1.252
H12	0.526	2.387	1.281
H13	-1.012	1.359	-1.252
H14	0.526	2.387	-1.281

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
O1		1.2600	2.4584	2.4089	2.9041	2.9041	2.5751	3.1672	3.1672	3.3503	2.5586	3.9513	2.5586	3.9513
C2	1.2600		1.5366	1.5032	2.5698	2.5698	2.1586	2.1735	2.1735	2.2245	2.6593	3.4876	2.6593	3.4876
C3	2.4584	1.5366		2.5801	3.8914	3.8914	1.0965	1.1008	1.1008	2.7142	4.0609	4.6324	4.0609	4.6324
C4	2.4089	1.5032	2.5801		1.5491	1.5491	3.4965	2.8457	2.8457	1.0865	2.2343	2.2681	2.2343	2.2681
C5	2.9041	2.5698	3.8914	1.5491		1.5231	4.6685	4.3463	4.0216	2.2833	1.0875	1.0868	2.2351	2.2546
C6	2.9041	2.5698	3.8914	1.5491	1.5231		4.6685	4.0216	4.3463	2.2833	2.2351	2.2546	1.0875	1.0868
H7	2.5751	2.1586	1.0965	3.4965	4.6685	4.6685		1.7990	1.7990	3.7803	4.6286	5.4954	4.6286	5.4954
H8	3.1672	2.1735	1.1008	2.8457	4.3463	4.0216	1.7990		1.7836	2.7213	4.7225	5.0347	4.2234	4.5583
H9	3.1672	2.1735	1.1008	2.8457	4.0216	4.3463	1.7990	1.7836		2.7213	4.2234	4.5583	4.7225	5.0347
H10	3.3503	2.2245	2.7142	1.0865	2.2833	2.2833	3.7803	2.7213	2.7213		3.1302	2.5808	3.1302	2.5808
H11	2.5586	2.6593	4.0609	2.2343	1.0875	2.2351	4.6286	4.7225	4.2234	3.1302		1.8506	2.5035	3.1366
H12	3.9513	3.4876	4.6324	2.2681	1.0868	2.2546	5.4954	5.0347	4.5583	2.5808	1.8506		3.1366	2.5620
H13	2.5586	2.6593	4.0609	2.2343	2.2351	1.0875	4.6286	4.2234	4.7225	3.1302	2.5035	3.1366		1.8506
H14	3.9513	3.4876	4.6324	2.2681	2.2546	1.0868	5.4954	4.5583	5.0347	2.5808	3.1366	2.5620	1.8506

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	122.757	O1	C2	C4	121.089
C2	C3	H7	108.982	C2	C3	H8	109.891
C2	C3	H9	109.891	C2	C4	C5	114.677
C2	C4	C6	114.677	C2	C4	H10	117.498
C3	C2	C4	116.154	C4	C5	C6	60.555
C4	C5	H11	114.727	C4	C5	H12	117.661
C4	C6	C5	60.555	C4	C6	H13	114.727
C4	C6	H14	117.661	C5	C4	C6	58.891
C5	C4	H10	119.020	C5	C6	H13	116.791
C5	C6	H14	118.552	C6	C4	H10	119.020
C6	C5	H11	116.791	C6	C5	H12	118.552
H7	C3	H8	109.923	H7	C3	H9	109.923
H8	C3	H9	108.221	H11	C5	H12	116.666
H13	C6	H14	116.666

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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