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	hartrees
Energy at 0K	-156.791020
Energy at 298.15K	-156.799692
HF Energy	-156.145634
Nuclear repulsion energy	124.335905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3258	3113	28.73
2	A'	3182	3040	17.00
3	A'	3167	3026	12.58
4	A'	3120	2981	25.04
5	A'	3049	2913	33.34
6	A'	1550	1481	1.02
7	A'	1531	1462	6.85
8	A'	1459	1394	2.75
9	A'	1422	1358	2.33
10	A'	1257	1201	0.07
11	A'	1235	1180	0.11
12	A'	1106	1057	7.88
13	A'	1018	972	7.22
14	A'	965	922	2.38
15	A'	817	780	2.23
16	A'	787	752	5.86
17	A'	373	357	0.26
18	A"	3244	3099	0.27
19	A"	3161	3019	22.99
20	A"	3120	2980	33.22
21	A"	1520	1452	1.43
22	A"	1501	1434	1.57
23	A"	1231	1176	0.63
24	A"	1186	1133	0.01
25	A"	1139	1088	3.29
26	A"	1117	1067	0.69
27	A"	889	850	9.65
28	A"	854	816	5.27
29	A"	353	338	0.50
30	A"	221	211	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.349	0.405	0.000
C2	-0.886	1.276	0.000
H3	1.289	0.947	0.000
C4	0.349	-0.896	0.755
C5	0.349	-0.896	-0.755
H6	1.255	-1.200	1.262
H7	1.255	-1.200	-1.262
H8	-0.568	-1.183	1.256
H9	-0.568	-1.183	-1.256
H10	-1.788	0.657	0.000
H11	-0.918	1.916	0.886
H12	-0.918	1.916	-0.886

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5107	1.0846	1.5050	1.5050	2.2346	2.2346	2.2229	2.2229	2.1511	2.1611	2.1611
C2	1.5107		2.1996	2.6101	2.6101	3.5085	3.5085	2.7792	2.7792	1.0937	1.0935	1.0935
H3	1.0846	2.1996		2.2023	2.2023	2.4907	2.4907	3.0921	3.0921	3.0900	2.5675	2.5675
C4	1.5050	2.6101	2.2023		1.5110	1.0821	2.2327	1.0832	2.2288	2.7470	3.0870	3.4938
C5	1.5050	2.6101	2.2023	1.5110		2.2327	1.0821	2.2288	1.0832	2.7470	3.4938	3.0870
H6	2.2346	3.5085	2.4907	1.0821	2.2327		2.5242	1.8236	3.1087	3.7816	3.8177	4.3643
H7	2.2346	3.5085	2.4907	2.2327	1.0821	2.5242		3.1087	1.8236	3.7816	4.3643	3.8177
H8	2.2229	2.7792	3.0921	1.0832	2.2288	1.8236	3.1087		2.5112	2.5394	3.1408	3.7833
H9	2.2229	2.7792	3.0921	2.2288	1.0832	3.1087	1.8236	2.5112		2.5394	3.7833	3.1408
H10	2.1511	1.0937	3.0900	2.7470	2.7470	3.7816	3.7816	2.5394	2.5394		1.7687	1.7687
H11	2.1611	1.0935	2.5675	3.0870	3.4938	3.8177	4.3643	3.1408	3.7833	1.7687		1.7717
H12	2.1611	1.0935	2.5675	3.4938	3.0870	4.3643	3.8177	3.7833	3.1408	1.7687	1.7717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.349	C1	C2	H11	111.149
C1	C2	H12	111.149	C1	C4	H5	59.869
C1	C4	H6	118.565	C1	C4	H8	117.448
C1	H5	C4	59.869	C1	H5	H7	118.565
C1	H5	H9	117.448	C2	C1	C3	114.897
C2	C1	C4	119.882	C2	C1	H5	119.882
C3	C1	C4	115.564	C3	C1	H5	115.564
C4	C1	H5	60.262	C4	H5	H7	117.916
C4	H5	H9	117.496	H5	C4	H6	117.916
H5	C4	H8	117.496	H6	C4	H8	114.741
H7	H5	H9	114.741	H10	C2	H11	107.928
H10	C2	H12	107.928	H11	C2	H12	108.211

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)