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	hartrees
Energy at 0K	-156.664450
Energy at 298.15K	-156.673099
HF Energy	-156.094963
Nuclear repulsion energy	124.005642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3250	3095	28.69
2	A'	3173	3021	10.88
3	A'	3166	3015	21.96
4	A'	3126	2977	21.06
5	A'	3055	2909	29.39
6	A'	1571	1496	0.94
7	A'	1551	1477	6.70
8	A'	1480	1409	3.14
9	A'	1441	1372	1.91
10	A'	1270	1210	0.12
11	A'	1246	1186	0.07
12	A'	1108	1056	6.66
13	A'	1032	982	8.67
14	A'	968	921	3.04
15	A'	821	781	4.38
16	A'	795	757	2.60
17	A'	373	355	0.19
18	A"	3237	3083	0.27
19	A"	3160	3009	22.12
20	A"	3128	2979	30.82
21	A"	1543	1469	1.64
22	A"	1516	1444	1.65
23	A"	1233	1174	0.46
24	A"	1190	1133	0.23
25	A"	1143	1089	4.11
26	A"	1112	1059	1.33
27	A"	907	863	7.31
28	A"	849	809	4.79
29	A"	349	332	0.63
30	A"	226	215	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.347	0.403	0.000
C2	-0.883	1.284	0.000
H3	1.293	0.947	0.000
C4	0.347	-0.900	0.755
C5	0.347	-0.900	-0.755
H6	1.255	-1.205	1.272
H7	1.255	-1.205	-1.272
H8	-0.571	-1.190	1.264
H9	-0.571	-1.190	-1.264
H10	-1.794	0.671	0.000
H11	-0.911	1.928	0.889
H12	-0.911	1.928	-0.889

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5126	1.0907	1.5068	1.5068	2.2426	2.2426	2.2315	2.2315	2.1584	2.1672	2.1672
C2	1.5126		2.2019	2.6180	2.6180	3.5189	3.5189	2.7954	2.7954	1.0982	1.0980	1.0980
H3	1.0907	2.2019		2.2083	2.2083	2.4999	2.4999	3.1044	3.1044	3.0998	2.5712	2.5712
C4	1.5068	2.6180	2.2083		1.5103	1.0879	2.2417	1.0888	2.2368	2.7618	3.0982	3.5049
C5	1.5068	2.6180	2.2083	1.5103		2.2417	1.0879	2.2368	1.0888	2.7618	3.5049	3.0982
H6	2.2426	3.5189	2.4999	1.0879	2.2417		2.5435	1.8258	3.1246	3.7997	3.8279	4.3790
H7	2.2426	3.5189	2.4999	2.2417	1.0879	2.5435		3.1246	1.8258	3.7997	4.3790	3.8279
H8	2.2315	2.7954	3.1044	1.0888	2.2368	1.8258	3.1246		2.5278	2.5611	3.1585	3.8040
H9	2.2315	2.7954	3.1044	2.2368	1.0888	3.1246	1.8258	2.5278		2.5611	3.8040	3.1585
H10	2.1584	1.0982	3.0998	2.7618	2.7618	3.7997	3.7997	2.5611	2.5611		1.7744	1.7744
H11	2.1672	1.0980	2.5712	3.0982	3.5049	3.8279	4.3790	3.1585	3.8040	1.7744		1.7780
H12	2.1672	1.0980	2.5712	3.5049	3.0982	4.3790	3.8279	3.8040	3.1585	1.7744	1.7780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.520	C1	C2	H11	111.236
C1	C2	H12	111.236	C1	C4	H5	59.923
C1	C4	H6	118.715	C1	C4	H8	117.668
C1	H5	C4	59.923	C1	H5	H7	118.715
C1	H5	H9	117.668	C2	C1	C3	114.545
C2	C1	C4	120.237	C2	C1	H5	120.237
C3	C1	C4	115.528	C3	C1	H5	115.528
C4	C1	H5	60.154	C4	H5	H7	118.348
C4	H5	H9	117.854	H5	C4	H6	118.348
H5	C4	H8	117.854	H6	C4	H8	114.019
H7	H5	H9	114.019	H10	C2	H11	107.791
H10	C2	H12	107.791	H11	C2	H12	108.124

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: QCISD/6-31G*

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: QCISD/6-31G*

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)