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	hartrees
Energy at 0K	-156.681155
Energy at 298.15K	-156.689769
HF Energy	-156.094654
Nuclear repulsion energy	123.835031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3235	3113
2	A'	3156	3036
3	A'	3150	3030
4	A'	3112	2994
5	A'	3040	2925
6	A'	1558	1499
7	A'	1543	1485
8	A'	1468	1412
9	A'	1430	1376
10	A'	1259	1211
11	A'	1236	1190
12	A'	1097	1055
13	A'	1023	984
14	A'	960	924
15	A'	813	782
16	A'	787	758
17	A'	369	355
18	A"	3222	3100
19	A"	3144	3025
20	A"	3115	2997
21	A"	1536	1478
22	A"	1507	1450
23	A"	1224	1177
24	A"	1179	1135
25	A"	1135	1092
26	A"	1098	1056
27	A"	895	861
28	A"	842	810
29	A"	345	332
30	A"	222	214

Atom	x (Å)	y (Å)	z (Å)
C1	0.349	0.406	0.000
C2	-0.886	1.283	0.000
H3	1.295	0.950	0.000
C4	0.349	-0.901	0.757
C5	0.349	-0.901	-0.757
H6	1.258	-1.206	1.273
H7	1.258	-1.206	-1.273
H8	-0.571	-1.190	1.266
H9	-0.571	-1.190	-1.266
H10	-1.794	0.664	0.000
H11	-0.917	1.927	0.890
H12	-0.917	1.927	-0.890

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5143	1.0921	1.5100	1.5100	2.2462	2.2462	2.2347	2.2347	2.1586	2.1698	2.1698
C2	1.5143		2.2061	2.6204	2.6204	3.5230	3.5230	2.7959	2.7959	1.0995	1.0992	1.0992
H3	1.0921	2.2061		2.2127	2.2127	2.5045	2.5045	3.1089	3.1089	3.1029	2.5767	2.5767
C4	1.5100	2.6204	2.2127		1.5132	1.0893	2.2449	1.0902	2.2404	2.7596	3.1011	3.5087
C5	1.5100	2.6204	2.2127	1.5132		2.2449	1.0893	2.2404	1.0902	2.7596	3.5087	3.1011
H6	2.2462	3.5230	2.5045	1.0893	2.2449		2.5463	1.8288	3.1291	3.7994	3.8329	4.3847
H7	2.2462	3.5230	2.5045	2.2449	1.0893	2.5463		3.1291	1.8288	3.7994	4.3847	3.8329
H8	2.2347	2.7959	3.1089	1.0902	2.2404	1.8288	3.1291		2.5319	2.5568	3.1583	3.8057
H9	2.2347	2.7959	3.1089	2.2404	1.0902	3.1291	1.8288	2.5319		2.5568	3.8057	3.1583
H10	2.1586	1.0995	3.1029	2.7596	2.7596	3.7994	3.7994	2.5568	2.5568		1.7769	1.7769
H11	2.1698	1.0992	2.5767	3.1011	3.5087	3.8329	4.3847	3.1583	3.8057	1.7769		1.7807
H12	2.1698	1.0992	2.5767	3.5087	3.1011	4.3847	3.8329	3.8057	3.1583	1.7769	1.7807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.339	C1	C2	H11	111.254
C1	C2	H12	111.254	C1	C4	H5	59.930
C1	C4	H6	118.687	C1	C4	H8	117.601
C1	H5	C4	59.930	C1	H5	H7	118.687
C1	H5	H9	117.601	C2	C1	C3	114.677
C2	C1	C4	120.099	C2	C1	H5	120.099
C3	C1	C4	115.563	C3	C1	H5	115.563
C4	C1	H5	60.139	C4	H5	H7	118.309
C4	H5	H9	117.855	H5	C4	H6	118.309
H5	C4	H8	117.855	H6	C4	H8	114.098
H7	H5	H9	114.098	H10	C2	H11	107.832
H10	C2	H12	107.832	H11	C2	H12	108.192

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: CCSD(T)/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: CCSD(T)/6-31G*

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)