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	hartrees
Energy at 0K	-154.462278
Energy at 298.15K	-154.470785
HF Energy	-154.245698
Nuclear repulsion energy	122.211441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3613	3211	0.26
2	A'	3552	3157	2.48
3	A'	3505	3115	1.46
4	A'	3461	3077	0.55
5	A'	3369	2994	4.13
6	A'	1736	1543	1.28
7	A'	1690	1502	0.15
8	A'	1626	1445	1.76
9	A'	1559	1386	7.17
10	A'	1355	1205	0.62
11	A'	1327	1180	0.89
12	A'	1272	1131	0.34
13	A'	1114	990	1.08
14	A'	1044	928	2.41
15	A'	887	788	1.50
16	A'	858	763	0.05
17	A'	381	339	0.14
18	A"	3608	3207	0.00
19	A"	3544	3150	2.69
20	A"	3452	3068	0.95
21	A"	1729	1537	0.58
22	A"	1643	1461	0.20
23	A"	1334	1186	0.25
24	A"	1313	1168	1.19
25	A"	1252	1113	0.28
26	A"	1232	1095	3.13
27	A"	1017	904	1.08
28	A"	908	807	1.37
29	A"	363	323	0.25
30	A"	196	174	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.353	0.410	0.000
C2	-0.902	1.310	0.000
H3	1.307	0.961	0.000
C4	0.353	-0.918	0.765
C5	0.353	-0.918	-0.765
H6	1.272	-1.219	1.285
H7	1.272	-1.219	-1.285
H8	-0.572	-1.217	1.275
H9	-0.572	-1.217	-1.275
H10	-1.819	0.696	0.000
H11	-0.919	1.958	0.894
H12	-0.919	1.958	-0.894

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5444	1.1011	1.5326	1.5326	2.2688	2.2688	2.2643	2.2643	2.1913	2.1943	2.1943
C2	1.5444		2.2357	2.6691	2.6691	3.5736	3.5736	2.8488	2.8488	1.1035	1.1044	1.1044
H3	1.1011	2.2357		2.2418	2.2418	2.5306	2.5306	3.1460	3.1460	3.1369	2.5974	2.5974
C4	1.5326	2.6691	2.2418		1.5300	1.0978	2.2666	1.0980	2.2598	2.8126	3.1475	3.5557
C5	1.5326	2.6691	2.2418	1.5300		2.2666	1.0978	2.2598	1.0980	2.8126	3.5557	3.1475
H6	2.2688	3.5736	2.5306	1.0978	2.2666		2.5700	1.8445	3.1552	3.8567	3.8787	4.4318
H7	2.2688	3.5736	2.5306	2.2666	1.0978	2.5700		3.1552	1.8445	3.8567	4.4318	3.8787
H8	2.2643	2.8488	3.1460	1.0980	2.2598	1.8445	3.1552		2.5498	2.6150	3.2158	3.8602
H9	2.2643	2.8488	3.1460	2.2598	1.0980	3.1552	1.8445	2.5498		2.6150	3.8602	3.2158
H10	2.1913	1.1035	3.1369	2.8126	2.8126	3.8567	3.8567	2.6150	2.6150		1.7891	1.7891
H11	2.1943	1.1044	2.5974	3.1475	3.5557	3.8787	4.4318	3.2158	3.8602	1.7891		1.7883
H12	2.1943	1.1044	2.5974	3.5557	3.1475	4.4318	3.8787	3.8602	3.2158	1.7891	1.7883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.589	C1	C2	H11	110.770
C1	C2	H12	110.770	C1	C4	H5	60.057
C1	C4	H6	118.264	C1	C4	H8	117.859
C1	H5	C4	60.057	C1	H5	H7	118.264
C1	H5	H9	117.859	C2	C1	C3	114.323
C2	C1	C4	120.316	C2	C1	H5	120.316
C3	C1	C4	115.715	C3	C1	H5	115.715
C4	C1	H5	59.887	C4	H5	H7	118.272
C4	H5	H9	117.670	H5	C4	H6	118.272
H5	C4	H8	117.670	H6	C4	H8	114.286
H7	H5	H9	114.286	H10	C2	H11	108.252
H10	C2	H12	108.252	H11	C2	H12	108.113

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)