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	hartrees
Energy at 0K	-156.913074
Energy at 298.15K	-156.921671
HF Energy	-156.150751
Nuclear repulsion energy	124.273588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3234	3068
2	A'	3159	2997
3	A'	3143	2981
4	A'	3095	2936
5	A'	3025	2869
6	A'	1521	1443
7	A'	1506	1429
8	A'	1432	1358
9	A'	1394	1323
10	A'	1235	1172
11	A'	1214	1152
12	A'	1055	1001
13	A'	1005	953
14	A'	943	895
15	A'	797	756
16	A'	773	733
17	A'	358	339
18	A"	3220	3055
19	A"	3136	2975
20	A"	3097	2938
21	A"	1499	1422
22	A"	1473	1397
23	A"	1201	1139
24	A"	1148	1089
25	A"	1113	1056
26	A"	1073	1018
27	A"	878	833
28	A"	822	779
29	A"	341	323
30	A"	229	217

Atom	x (Å)	y (Å)	z (Å)
C1	0.351	0.410	0.000
C2	-0.891	1.269	0.000
H3	1.290	0.952	0.000
C4	0.351	-0.894	0.757
C5	0.351	-0.894	-0.757
H6	1.258	-1.199	1.263
H7	1.258	-1.199	-1.263
H8	-0.567	-1.177	1.258
H9	-0.567	-1.177	-1.258
H10	-1.785	0.639	0.000
H11	-0.933	1.909	0.885
H12	-0.933	1.909	-0.885

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5102	1.0841	1.5085	1.5085	2.2375	2.2375	2.2233	2.2233	2.1485	2.1628	2.1628
C2	1.5102		2.2040	2.6071	2.6071	3.5075	3.5075	2.7693	2.7693	1.0936	1.0930	1.0930
H3	1.0841	2.2040		2.2057	2.2057	2.4948	2.4948	3.0923	3.0923	3.0910	2.5766	2.5766
C4	1.5085	2.6071	2.2057		1.5149	1.0817	2.2355	1.0829	2.2325	2.7366	3.0857	3.4934
C5	1.5085	2.6071	2.2057	1.5149		2.2355	1.0817	2.2325	1.0829	2.7366	3.4934	3.0857
H6	2.2375	3.5075	2.4948	1.0817	2.2355		2.5264	1.8245	3.1120	3.7725	3.8206	4.3669
H7	2.2375	3.5075	2.4948	2.2355	1.0817	2.5264		3.1120	1.8245	3.7725	4.3669	3.8206
H8	2.2233	2.7693	3.0923	1.0829	2.2325	1.8245	3.1120		2.5158	2.5227	3.1292	3.7745
H9	2.2233	2.7693	3.0923	2.2325	1.0829	3.1120	1.8245	2.5158		2.5227	3.7745	3.1292
H10	2.1485	1.0936	3.0910	2.7366	2.7366	3.7725	3.7725	2.5227	2.5227		1.7669	1.7669
H11	2.1628	1.0930	2.5766	3.0857	3.4934	3.8206	4.3669	3.1292	3.7745	1.7669		1.7707
H12	2.1628	1.0930	2.5766	3.4934	3.0857	4.3669	3.8206	3.7745	3.1292	1.7669	1.7707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.179	C1	C2	H11	111.353
C1	C2	H12	111.353	C1	C4	H5	59.859
C1	C4	H6	118.567	C1	C4	H8	117.228
C1	H5	C4	59.859	C1	H5	H7	118.567
C1	H5	H9	117.228	C2	C1	C3	115.341
C2	C1	C4	119.455	C2	C1	H5	119.455
C3	C1	C4	115.624	C3	C1	H5	115.624
C4	C1	H5	60.281	C4	H5	H7	117.874
C4	H5	H9	117.523	H5	C4	H6	117.874
H5	C4	H8	117.523	H6	C4	H8	114.887
H7	H5	H9	114.887	H10	C2	H11	107.812
H10	C2	H12	107.812	H11	C2	H12	108.191

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: QCISD(T)/cc-pVTZ

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(T)/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)