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	hartrees
Energy at 0K	-156.778744
Energy at 298.15K	-156.787407
HF Energy	-156.134013
Nuclear repulsion energy	123.974984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3258	3112	27.56
2	A'	3179	3037	16.74
3	A'	3165	3023	12.18
4	A'	3127	2987	22.50
5	A'	3051	2914	30.85
6	A'	1552	1482	1.15
7	A'	1527	1458	7.57
8	A'	1461	1395	3.04
9	A'	1420	1356	1.82
10	A'	1259	1202	0.11
11	A'	1235	1179	0.11
12	A'	1097	1048	6.91
13	A'	1024	978	8.97
14	A'	961	918	2.04
15	A'	815	779	4.14
16	A'	790	755	3.25
17	A'	367	351	0.22
18	A"	3244	3099	0.20
19	A"	3159	3017	20.13
20	A"	3126	2985	31.10
21	A"	1519	1451	1.75
22	A"	1495	1428	2.21
23	A"	1225	1170	0.61
24	A"	1177	1124	0.04
25	A"	1133	1082	3.50
26	A"	1105	1056	1.09
27	A"	901	860	8.94
28	A"	845	807	4.25
29	A"	347	331	0.50
30	A"	226	216	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.349	0.406	0.000
C2	-0.888	1.280	0.000
H3	1.293	0.948	0.000
C4	0.349	-0.899	0.758
C5	0.349	-0.899	-0.758
H6	1.259	-1.203	1.267
H7	1.259	-1.203	-1.267
H8	-0.570	-1.186	1.260
H9	-0.570	-1.186	-1.260
H10	-1.792	0.659	0.000
H11	-0.919	1.922	0.888
H12	-0.919	1.922	-0.888

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5148	1.0880	1.5096	1.5096	2.2407	2.2407	2.2291	2.2291	2.1564	2.1667	2.1667
C2	1.5148		2.2058	2.6183	2.6183	3.5181	3.5181	2.7876	2.7876	1.0966	1.0965	1.0965
H3	1.0880	2.2058		2.2087	2.2087	2.4967	2.4967	3.1006	3.1006	3.0983	2.5742	2.5742
C4	1.5096	2.6183	2.2087		1.5151	1.0853	2.2398	1.0864	2.2359	2.7550	3.0961	3.5040
C5	1.5096	2.6183	2.2087	1.5151		2.2398	1.0853	2.2359	1.0864	2.7550	3.5040	3.0961
H6	2.2407	3.5181	2.4967	1.0853	2.2398		2.5336	1.8287	3.1194	3.7920	3.8273	4.3760
H7	2.2407	3.5181	2.4967	2.2398	1.0853	2.5336		3.1194	1.8287	3.7920	4.3760	3.8273
H8	2.2291	2.7876	3.1006	1.0864	2.2359	1.8287	3.1194		2.5205	2.5470	3.1496	3.7945
H9	2.2291	2.7876	3.1006	2.2359	1.0864	3.1194	1.8287	2.5205		2.5470	3.7945	3.1496
H10	2.1564	1.0966	3.0983	2.7550	2.7550	3.7920	3.7920	2.5470	2.5470		1.7739	1.7739
H11	2.1667	1.0965	2.5742	3.0961	3.5040	3.8273	4.3760	3.1496	3.7945	1.7739		1.7767
H12	2.1667	1.0965	2.5742	3.5040	3.0961	4.3760	3.8273	3.7945	3.1496	1.7739	1.7767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.307	C1	C2	H11	111.129
C1	C2	H12	111.129	C1	C4	H5	59.880
C1	C4	H6	118.501	C1	C4	H8	117.408
C1	H5	C4	59.880	C1	H5	H7	118.501
C1	H5	H9	117.408	C2	C1	C3	114.887
C2	C1	C4	119.928	C2	C1	H5	119.928
C3	C1	C4	115.533	C3	C1	H5	115.533
C4	C1	H5	60.240	C4	H5	H7	117.983
C4	H5	H9	117.565	H5	C4	H6	117.983
H5	C4	H8	117.565	H6	C4	H8	114.719
H7	H5	H9	114.719	H10	C2	H11	107.968
H10	C2	H12	107.968	H11	C2	H12	108.219

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: CCD/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)