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	hartrees
Energy at 0K	-156.784051
Energy at 298.15K	-156.792740
HF Energy	-156.145809
Nuclear repulsion energy	124.485123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3289	3076	26.34
2	A'	3213	3005	16.81
3	A'	3196	2989	10.41
4	A'	3151	2947	24.29
5	A'	3077	2878	31.31
6	A'	1557	1456	1.21
7	A'	1536	1436	7.42
8	A'	1464	1369	3.09
9	A'	1427	1335	2.18
10	A'	1264	1182	0.06
11	A'	1241	1161	0.10
12	A'	1111	1039	8.61
13	A'	1025	958	7.59
14	A'	969	907	2.35
15	A'	822	769	2.46
16	A'	793	742	5.82
17	A'	375	351	0.27
18	A"	3275	3063	0.28
19	A"	3190	2983	20.81
20	A"	3152	2948	31.13
21	A"	1524	1425	1.47
22	A"	1507	1410	2.03
23	A"	1236	1156	0.69
24	A"	1191	1114	0.01
25	A"	1143	1069	3.58
26	A"	1121	1048	0.80
27	A"	897	838	10.11
28	A"	859	803	5.21
29	A"	355	332	0.52
30	A"	221	207	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.349	0.405	0.000
C2	-0.886	1.274	0.000
H3	1.287	0.945	0.000
C4	0.349	-0.895	0.755
C5	0.349	-0.895	-0.755
H6	1.254	-1.199	1.260
H7	1.254	-1.199	-1.260
H8	-0.567	-1.181	1.253
H9	-0.567	-1.181	-1.253
H10	-1.785	0.654	0.000
H11	-0.918	1.913	0.884
H12	-0.918	1.913	-0.884

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5096	1.0823	1.5037	1.5037	2.2314	2.2314	2.2196	2.2196	2.1483	2.1584	2.1584
C2	1.5096		2.1977	2.6074	2.6074	3.5043	3.5043	2.7747	2.7747	1.0918	1.0914	1.0914
H3	1.0823	2.1977		2.1992	2.1992	2.4867	2.4867	3.0870	3.0870	3.0857	2.5652	2.5652
C4	1.5037	2.6074	2.1992		1.5099	1.0800	2.2295	1.0812	2.2256	2.7429	3.0830	3.4893
C5	1.5037	2.6074	2.1992	1.5099		2.2295	1.0800	2.2256	1.0812	2.7429	3.4893	3.0830
H6	2.2314	3.5043	2.4867	1.0800	2.2295		2.5194	1.8212	3.1035	3.7757	3.8130	4.3583
H7	2.2314	3.5043	2.4867	2.2295	1.0800	2.5194		3.1035	1.8212	3.7757	4.3583	3.8130
H8	2.2196	2.7747	3.0870	1.0812	2.2256	1.8212	3.1035		2.5064	2.5343	3.1354	3.7768
H9	2.2196	2.7747	3.0870	2.2256	1.0812	3.1035	1.8212	2.5064		2.5343	3.7768	3.1354
H10	2.1483	1.0918	3.0857	2.7429	2.7429	3.7757	3.7757	2.5343	2.5343		1.7655	1.7655
H11	2.1584	1.0914	2.5652	3.0830	3.4893	3.8130	4.3583	3.1354	3.7768	1.7655		1.7687
H12	2.1584	1.0914	2.5652	3.4893	3.0830	4.3583	3.8130	3.7768	3.1354	1.7655	1.7687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.312	C1	C2	H11	111.141
C1	C2	H12	111.141	C1	C4	H5	59.863
C1	C4	H6	118.539	C1	C4	H8	117.402
C1	H5	C4	59.863	C1	H5	H7	118.539
C1	H5	H9	117.402	C2	C1	C3	114.970
C2	C1	C4	119.833	C2	C1	H5	119.833
C3	C1	C4	115.549	C3	C1	H5	115.549
C4	C1	H5	60.273	C4	H5	H7	117.864
C4	H5	H9	117.440	H5	C4	H6	117.864
H5	C4	H8	117.440	H6	C4	H8	114.852
H7	H5	H9	114.852	H10	C2	H11	107.938
H10	C2	H12	107.938	H11	C2	H12	108.249

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: MP3/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: MP3/TZVP

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)