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	hartrees
Energy at 0K	-156.772685
Energy at 298.15K	-156.781215
HF Energy	-156.110225
Nuclear repulsion energy	123.071049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3245	3170
2	A'	3162	3089
3	A'	3156	3083
4	A'	3122	3050
5	A'	3046	2976
6	A'	1558	1522
7	A'	1545	1510
8	A'	1468	1434
9	A'	1431	1398
10	A'	1261	1231
11	A'	1238	1209
12	A'	1096	1070
13	A'	1024	1001
14	A'	961	939
15	A'	814	795
16	A'	788	770
17	A'	369	361
18	A"	3232	3157
19	A"	3151	3078
20	A"	3126	3054
21	A"	1538	1503
22	A"	1509	1474
23	A"	1225	1196
24	A"	1180	1153
25	A"	1136	1110
26	A"	1096	1071
27	A"	896	875
28	A"	842	823
29	A"	345	337
30	A"	224	219

Atom	x (Å)	y (Å)	z (Å)
C1	0.354	0.415	0.000
C2	-0.898	1.278	0.000
H3	1.304	0.965	0.000
C4	0.354	-0.902	0.765
C5	0.354	-0.902	-0.765
H6	1.272	-1.210	1.276
H7	1.272	-1.210	-1.276
H8	-0.575	-1.188	1.272
H9	-0.575	-1.188	-1.272
H10	-1.803	0.641	0.000
H11	-0.939	1.926	0.896
H12	-0.939	1.926	-0.896

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5211	1.0976	1.5230	1.5230	2.2607	2.2607	2.2472	2.2472	2.1684	2.1812	2.1812
C2	1.5211		2.2246	2.6281	2.6281	3.5399	3.5399	2.7937	2.7937	1.1064	1.1061	1.1061
H3	1.0976	2.2246		2.2297	2.2297	2.5214	2.5214	3.1275	3.1275	3.1234	2.5999	2.5999
C4	1.5230	2.6281	2.2297		1.5305	1.0948	2.2590	1.0960	2.2573	2.7597	3.1119	3.5251
C5	1.5230	2.6281	2.2297	1.5305		2.2590	1.0948	2.2573	1.0960	2.7597	3.5251	3.1119
H6	2.2607	3.5399	2.5214	1.0948	2.2590		2.5511	1.8471	3.1468	3.8088	3.8559	4.4090
H7	2.2607	3.5399	2.5214	2.2590	1.0948	2.5511		3.1468	1.8471	3.8088	4.4090	3.8559
H8	2.2472	2.7937	3.1275	1.0960	2.2573	1.8471	3.1468		2.5443	2.5435	3.1572	3.8114
H9	2.2472	2.7937	3.1275	2.2573	1.0960	3.1468	1.8471	2.5443		2.5435	3.8114	3.1572
H10	2.1684	1.1064	3.1234	2.7597	2.7597	3.8088	3.8088	2.5435	2.5435		1.7884	1.7884
H11	2.1812	1.1061	2.5999	3.1119	3.5251	3.8559	4.4090	3.1572	3.8114	1.7884		1.7919
H12	2.1812	1.1061	2.5999	3.5251	3.1119	4.4090	3.8559	3.8114	3.1572	1.7884	1.7919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.231	C1	C2	H11	111.266
C1	C2	H12	111.266	C1	C4	H5	59.836
C1	C4	H6	118.534	C1	C4	H8	117.261
C1	H5	C4	59.836	C1	H5	H7	118.534
C1	H5	H9	117.261	C2	C1	C3	115.369
C2	C1	C4	119.386	C2	C1	H5	119.386
C3	C1	C4	115.657	C3	C1	H5	115.657
C4	C1	H5	60.328	C4	H5	H7	117.780
C4	H5	H9	117.547	H5	C4	H6	117.780
H5	C4	H8	117.547	H6	C4	H8	114.938
H7	H5	H9	114.938	H10	C2	H11	107.872
H10	C2	H12	107.872	H11	C2	H12	108.200

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: MP4/aug-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 C4H8 (methylcyclopropane)

using model chemistry: MP4/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)