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	hartrees
Energy at 0K	-156.723907
Energy at 298.15K	-156.732525
HF Energy	-156.105938
Nuclear repulsion energy	123.378058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3123	22.49
2	A'	3182	3044	15.97
3	A'	3169	3032	13.54
4	A'	3141	3005	18.14
5	A'	3058	2926	31.69
6	A'	1537	1471	1.11
7	A'	1500	1435	6.67
8	A'	1445	1383	1.95
9	A'	1398	1338	2.56
10	A'	1245	1191	0.15
11	A'	1221	1168	0.07
12	A'	1079	1032	3.18
13	A'	1017	973	9.36
14	A'	945	904	1.95
15	A'	808	773	6.21
16	A'	778	745	1.06
17	A'	363	347	0.22
18	A"	3251	3110	0.19
19	A"	3161	3024	18.17
20	A"	3141	3005	28.05
21	A"	1492	1428	1.62
22	A"	1468	1404	1.60
23	A"	1203	1151	0.45
24	A"	1158	1108	0.22
25	A"	1116	1068	3.22
26	A"	1085	1038	0.88
27	A"	899	860	8.10
28	A"	824	788	3.69
29	A"	343	328	0.49
30	A"	229	219	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.350	0.408	0.000
C2	-0.889	1.284	0.000
H3	1.302	0.955	0.000
C4	0.350	-0.903	0.760
C5	0.350	-0.903	-0.760
H6	1.267	-1.208	1.275
H7	1.267	-1.208	-1.275
H8	-0.577	-1.193	1.268
H9	-0.577	-1.193	-1.268
H10	-1.803	0.662	0.000
H11	-0.922	1.932	0.895
H12	-0.922	1.932	-0.895

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5175	1.0976	1.5156	1.5156	2.2539	2.2539	2.2429	2.2429	2.1684	2.1775	2.1775
C2	1.5175		2.2157	2.6259	2.6259	3.5336	3.5336	2.7998	2.7998	1.1056	1.1055	1.1055
H3	1.0976	2.2157		2.2217	2.2217	2.5116	2.5116	3.1226	3.1226	3.1191	2.5888	2.5888
C4	1.5156	2.6259	2.2217		1.5200	1.0950	2.2527	1.0960	2.2486	2.7684	3.1103	3.5206
C5	1.5156	2.6259	2.2217	1.5200		2.2527	1.0950	2.2486	1.0960	2.7684	3.5206	3.1103
H6	2.2539	3.5336	2.5116	1.0950	2.2527		2.5498	1.8437	3.1410	3.8145	3.8470	4.4003
H7	2.2539	3.5336	2.5116	2.2527	1.0950	2.5498		3.1410	1.8437	3.8145	4.4003	3.8470
H8	2.2429	2.7998	3.1226	1.0960	2.2486	1.8437	3.1410		2.5361	2.5597	3.1659	3.8160
H9	2.2429	2.7998	3.1226	2.2486	1.0960	3.1410	1.8437	2.5361		2.5597	3.8160	3.1659
H10	2.1684	1.1056	3.1191	2.7684	2.7684	3.8145	3.8145	2.5597	2.5597		1.7863	1.7863
H11	2.1775	1.1055	2.5888	3.1103	3.5206	3.8470	4.4003	3.1659	3.8160	1.7863		1.7897
H12	2.1775	1.1055	2.5888	3.5206	3.1103	4.4003	3.8470	3.8160	3.1659	1.7863	1.7897

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.534	C1	C2	H11	111.259
C1	C2	H12	111.259	C1	C4	H5	59.904
C1	C4	H6	118.507	C1	C4	H8	117.466
C1	H5	C4	59.904	C1	H5	H7	118.507
C1	H5	H9	117.466	C2	C1	C3	114.888
C2	C1	C4	119.942	C2	C1	H5	119.942
C3	C1	C4	115.532	C3	C1	H5	115.532
C4	C1	H5	60.193	C4	H5	H7	118.051
C4	H5	H9	117.617	H5	C4	H6	118.051
H5	C4	H8	117.617	H6	C4	H8	114.599
H7	H5	H9	114.599	H10	C2	H11	107.777
H10	C2	H12	107.777	H11	C2	H12	108.089

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)