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	hartrees
Energy at 0K	-156.583614
Energy at 298.15K	-156.592358
HF Energy	-156.095765
Nuclear repulsion energy	124.635446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3337	3083	27.34
2	A'	3259	3011	12.17
3	A'	3251	3003	20.93
4	A'	3215	2970	19.78
5	A'	3142	2902	29.91
6	A'	1617	1494	1.07
7	A'	1591	1469	7.06
8	A'	1522	1406	3.14
9	A'	1480	1367	1.84
10	A'	1306	1206	0.13
11	A'	1278	1180	0.07
12	A'	1147	1059	5.54
13	A'	1059	978	10.28
14	A'	993	917	3.30
15	A'	843	779	5.23
16	A'	817	754	2.48
17	A'	381	352	0.19
18	A"	3324	3070	0.25
19	A"	3244	2997	21.69
20	A"	3217	2971	30.75
21	A"	1582	1462	1.71
22	A"	1557	1438	1.85
23	A"	1269	1172	0.40
24	A"	1226	1132	0.39
25	A"	1175	1086	4.54
26	A"	1153	1065	1.29
27	A"	938	866	8.63
28	A"	872	805	4.95
29	A"	358	330	0.65
30	A"	230	213	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.345	0.400	0.000
C2	-0.879	1.280	0.000
H3	1.285	0.939	0.000
C4	0.345	-0.897	0.751
C5	0.345	-0.897	-0.751
H6	1.248	-1.200	1.263
H7	1.248	-1.200	-1.263
H8	-0.566	-1.186	1.257
H9	-0.566	-1.186	-1.257
H10	-1.788	0.677	0.000
H11	-0.904	1.920	0.883
H12	-0.904	1.920	-0.883

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5082	1.0837	1.4984	1.4984	2.2290	2.2290	2.2194	2.2194	2.1509	2.1573	2.1573
C2	1.5082		2.1908	2.6083	2.6083	3.5029	3.5029	2.7860	2.7860	1.0910	1.0910	1.0910
H3	1.0837	2.1908		2.1952	2.1952	2.4845	2.4845	3.0863	3.0863	3.0840	2.5565	2.5565
C4	1.4984	2.6083	2.1952		1.5019	1.0812	2.2281	1.0820	2.2240	2.7549	3.0848	3.4884
C5	1.4984	2.6083	2.1952	1.5019		2.2281	1.0812	2.2240	1.0820	2.7549	3.4884	3.0848
H6	2.2290	3.5029	2.4845	1.0812	2.2281		2.5270	1.8143	3.1055	3.7857	3.8093	4.3559
H7	2.2290	3.5029	2.4845	2.2281	1.0812	2.5270		3.1055	1.8143	3.7857	4.3559	3.8093
H8	2.2194	2.7860	3.0863	1.0820	2.2240	1.8143	3.1055		2.5139	2.5577	3.1472	3.7875
H9	2.2194	2.7860	3.0863	2.2240	1.0820	3.1055	1.8143	2.5139		2.5577	3.7875	3.1472
H10	2.1509	1.0910	3.0840	2.7549	2.7549	3.7857	3.7857	2.5577	2.5577		1.7629	1.7629
H11	2.1573	1.0910	2.5565	3.0848	3.4884	3.8093	4.3559	3.1472	3.7875	1.7629		1.7662
H12	2.1573	1.0910	2.5565	3.4884	3.0848	4.3559	3.8093	3.7875	3.1472	1.7629	1.7662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.667	C1	C2	H11	111.182
C1	C2	H12	111.182	C1	C4	H5	59.921
C1	C4	H6	118.673	C1	C4	H8	117.756
C1	H5	C4	59.921	C1	H5	H7	118.673
C1	H5	H9	117.756	C2	C1	C3	114.406
C2	C1	C4	120.354	C2	C1	H5	120.354
C3	C1	C4	115.523	C3	C1	H5	115.523
C4	C1	H5	60.158	C4	H5	H7	118.297
C4	H5	H9	117.881	H5	C4	H6	118.297
H5	C4	H8	117.881	H6	C4	H8	114.007
H7	H5	H9	114.007	H10	C2	H11	107.787
H10	C2	H12	107.787	H11	C2	H12	108.090

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: CID/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: CID/6-31G*

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)