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	hartrees
Energy at 0K	-156.397399
Energy at 298.15K	-156.406100
HF Energy	-156.027006
Nuclear repulsion energy	122.981567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	3109	31.08
2	A'	3187	3028	14.16
3	A'	3177	3018	15.17
4	A'	3126	2970	25.28
5	A'	3047	2895	31.02
6	A'	1578	1499	5.31
7	A'	1570	1492	2.39
8	A'	1487	1412	3.74
9	A'	1457	1384	1.52
10	A'	1268	1205	0.05
11	A'	1257	1194	0.03
12	A'	1153	1096	15.41
13	A'	1027	976	3.26
14	A'	979	930	5.99
15	A'	834	793	1.43
16	A'	784	745	7.01
17	A'	380	361	0.17
18	A"	3256	3093	0.26
19	A"	3170	3012	19.24
20	A"	3132	2976	33.20
21	A"	1567	1489	1.56
22	A"	1549	1472	2.49
23	A"	1254	1191	0.40
24	A"	1224	1163	0.30
25	A"	1168	1110	7.31
26	A"	1155	1098	0.02
27	A"	888	843	0.00
28	A"	869	825	14.95
29	A"	355	337	0.85
30	A"	223	211	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.348	0.408	0.000
C2	-0.885	1.302	0.000
H3	1.293	0.953	0.000
C4	0.348	-0.913	0.765
C5	0.348	-0.913	-0.765
H6	1.254	-1.219	1.284
H7	1.254	-1.219	-1.284
H8	-0.569	-1.201	1.275
H9	-0.569	-1.201	-1.275
H10	-1.800	0.690	0.000
H11	-0.909	1.946	0.891
H12	-0.909	1.946	-0.891

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5233	1.0906	1.5268	1.5268	2.2620	2.2620	2.2492	2.2492	2.1669	2.1765	2.1765
C2	1.5233		2.2065	2.6483	2.6483	3.5468	3.5468	2.8270	2.8270	1.1007	1.0997	1.0997
H3	1.0906	2.2065		2.2269	2.2269	2.5230	2.5230	3.1200	3.1200	3.1047	2.5745	2.5745
C4	1.5268	2.6483	2.2269		1.5298	1.0878	2.2609	1.0889	2.2556	2.7877	3.1252	3.5348
C5	1.5268	2.6483	2.2269	1.5298		2.2609	1.0878	2.2556	1.0889	2.7877	3.5348	3.1252
H6	2.2620	3.5468	2.5230	1.0878	2.2609		2.5680	1.8234	3.1425	3.8237	3.8527	4.4070
H7	2.2620	3.5468	2.5230	2.2609	1.0878	2.5680		3.1425	1.8234	3.8237	4.4070	3.8527
H8	2.2492	2.8270	3.1200	1.0889	2.2556	1.8234	3.1425		2.5509	2.5920	3.1880	3.8355
H9	2.2492	2.8270	3.1200	2.2556	1.0889	3.1425	1.8234	2.5509		2.5920	3.8355	3.1880
H10	2.1669	1.1007	3.1047	2.7877	2.7877	3.8237	3.8237	2.5920	2.5920		1.7794	1.7794
H11	2.1765	1.0997	2.5745	3.1252	3.5348	3.8527	4.4070	3.1880	3.8355	1.7794		1.7829
H12	2.1765	1.0997	2.5745	3.5348	3.1252	4.4070	3.8527	3.8355	3.1880	1.7794	1.7829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.303	C1	C2	H11	111.121
C1	C2	H12	111.121	C1	C4	H5	59.936
C1	C4	H6	118.841	C1	C4	H8	117.632
C1	H5	C4	59.936	C1	H5	H7	118.841
C1	H5	H9	117.632	C2	C1	C3	114.138
C2	C1	C4	120.514	C2	C1	H5	120.514
C3	C1	C4	115.592	C3	C1	H5	115.592
C4	C1	H5	60.128	C4	H5	H7	118.505
C4	H5	H9	117.963	H5	C4	H6	118.505
H5	C4	H8	117.963	H6	C4	H8	113.799
H7	H5	H9	113.799	H10	C2	H11	107.931
H10	C2	H12	107.931	H11	C2	H12	108.313

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)