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	hartrees
Energy at 0K	-155.581330
Energy at 298.15K	-155.590043
HF Energy	-155.222448
Nuclear repulsion energy	123.527334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3312	3095	19.57
2	A'	3240	3028	9.54
3	A'	3224	3012	9.41
4	A'	3156	2949	21.85
5	A'	3097	2893	24.51
6	A'	1614	1508	6.94
7	A'	1589	1485	2.46
8	A'	1517	1418	4.51
9	A'	1456	1361	0.93
10	A'	1283	1199	0.15
11	A'	1220	1140	0.13
12	A'	1155	1079	18.26
13	A'	1028	960	0.09
14	A'	973	909	9.01
15	A'	835	780	0.74
16	A'	778	727	7.83
17	A'	381	356	0.15
18	A"	3296	3080	0.16
19	A"	3215	3004	15.68
20	A"	3158	2951	27.42
21	A"	1606	1501	1.89
22	A"	1568	1465	3.55
23	A"	1260	1177	0.40
24	A"	1235	1154	0.84
25	A"	1183	1105	8.28
26	A"	1170	1093	0.00
27	A"	895	837	0.21
28	A"	860	804	14.39
29	A"	361	338	1.09
30	A"	223	209	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.355	0.417	0.000
C2	-0.902	1.274	0.000
H3	1.287	0.968	0.000
C4	0.355	-0.901	0.765
C5	0.355	-0.901	-0.765
H6	1.262	-1.201	1.270
H7	1.262	-1.201	-1.270
H8	-0.560	-1.183	1.268
H9	-0.560	-1.183	-1.268
H10	-1.793	0.639	0.000
H11	-0.938	1.913	0.888
H12	-0.938	1.913	-0.888

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5218	1.0828	1.5236	1.5236	2.2484	2.2484	2.2368	2.2368	2.1597	2.1675	2.1675
C2	1.5218		2.2103	2.6262	2.6262	3.5252	3.5252	2.7858	2.7858	1.0945	1.0939	1.0939
H3	1.0828	2.2103		2.2242	2.2242	2.5143	2.5143	3.1058	3.1058	3.0977	2.5750	2.5750
C4	1.5236	2.6262	2.2242		1.5296	1.0811	2.2484	1.0818	2.2469	2.7516	3.0990	3.5099
C5	1.5236	2.6262	2.2242	1.5296		2.2484	1.0811	2.2469	1.0818	2.7516	3.5099	3.0990
H6	2.2484	3.5252	2.5143	1.0811	2.2484		2.5409	1.8227	3.1248	3.7863	3.8321	4.3813
H7	2.2484	3.5252	2.5143	2.2484	1.0811	2.5409		3.1248	1.8227	3.7863	4.3813	3.8321
H8	2.2368	2.7858	3.1058	1.0818	2.2469	1.8227	3.1248		2.5353	2.5387	3.1413	3.7906
H9	2.2368	2.7858	3.1058	2.2469	1.0818	3.1248	1.8227	2.5353		2.5387	3.7906	3.1413
H10	2.1597	1.0945	3.0977	2.7516	2.7516	3.7863	3.7863	2.5387	2.5387		1.7724	1.7724
H11	2.1675	1.0939	2.5750	3.0990	3.5099	3.8321	4.3813	3.1413	3.7906	1.7724		1.7754
H12	2.1675	1.0939	2.5750	3.5099	3.0990	4.3813	3.8321	3.7906	3.1413	1.7724	1.7754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.209	C1	C2	H11	110.859
C1	C2	H12	110.859	C1	C4	H5	59.868
C1	C4	H6	118.368	C1	C4	H8	117.293
C1	H5	C4	59.868	C1	H5	H7	118.368
C1	H5	H9	117.293	C2	C1	C3	115.081
C2	C1	C4	119.171	C2	C1	H5	119.171
C3	C1	C4	116.133	C3	C1	H5	116.133
C4	C1	H5	60.263	C4	H5	H7	117.885
C4	H5	H9	117.699	H5	C4	H6	117.885
H5	C4	H8	117.699	H6	C4	H8	114.853
H7	H5	H9	114.853	H10	C2	H11	108.172
H10	C2	H12	108.172	H11	C2	H12	108.478

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: CISD/3-21G*

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: CISD/3-21G*

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)