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	hartrees
Energy at 0K	-155.031304
Energy at 298.15K	-155.039776
HF Energy	-154.958753
Nuclear repulsion energy	122.530275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3591	3591	0.01
2	A'	3526	3526	1.63
3	A'	3485	3485	1.35
4	A'	3441	3441	0.95
5	A'	3348	3348	3.50
6	A'	1715	1715	2.24
7	A'	1673	1673	0.71
8	A'	1607	1607	1.56
9	A'	1542	1542	4.99
10	A'	1341	1341	0.75
11	A'	1314	1314	0.79
12	A'	1249	1249	0.46
13	A'	1100	1100	1.56
14	A'	1033	1033	3.52
15	A'	876	876	2.29
16	A'	852	852	0.09
17	A'	380	380	0.16
18	A"	3586	3586	0.00
19	A"	3515	3515	1.86
20	A"	3432	3432	1.64
21	A"	1708	1708	1.36
22	A"	1627	1627	0.04
23	A"	1316	1316	0.08
24	A"	1290	1290	1.30
25	A"	1234	1234	0.07
26	A"	1216	1216	5.12
27	A"	1000	1000	1.17
28	A"	900	900	2.18
29	A"	360	360	0.40
30	A"	196	196	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.352	0.409	0.000
C2	-0.899	1.306	0.000
H3	1.302	0.960	0.000
C4	0.352	-0.916	0.763
C5	0.352	-0.916	-0.763
H6	1.268	-1.216	1.282
H7	1.268	-1.216	-1.282
H8	-0.570	-1.213	1.272
H9	-0.570	-1.213	-1.272
H10	-1.813	0.695	0.000
H11	-0.914	1.952	0.892
H12	-0.914	1.952	-0.892

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5395	1.0977	1.5296	1.5296	2.2633	2.2633	2.2587	2.2587	2.1842	2.1863	2.1863
C2	1.5395		2.2279	2.6624	2.6624	3.5639	3.5639	2.8417	2.8417	1.0999	1.1011	1.1011
H3	1.0977	2.2279		2.2369	2.2369	2.5251	2.5251	3.1377	3.1377	3.1263	2.5867	2.5867
C4	1.5296	2.6624	2.2369		1.5268	1.0945	2.2610	1.0946	2.2545	2.8050	3.1383	3.5456
C5	1.5296	2.6624	2.2369	1.5268		2.2610	1.0945	2.2545	1.0946	2.8050	3.5456	3.1383
H6	2.2633	3.5639	2.5251	1.0945	2.2610		2.5636	1.8388	3.1470	3.8458	3.8668	4.4186
H7	2.2633	3.5639	2.5251	2.2610	1.0945	2.5636		3.1470	1.8388	3.8458	4.4186	3.8668
H8	2.2587	2.8417	3.1377	1.0946	2.2545	1.8388	3.1470		2.5442	2.6086	3.2068	3.8498
H9	2.2587	2.8417	3.1377	2.2545	1.0946	3.1470	1.8388	2.5442		2.6086	3.8498	3.2068
H10	2.1842	1.0999	3.1263	2.8050	2.8050	3.8458	3.8458	2.6086	2.6086		1.7844	1.7844
H11	2.1863	1.1011	2.5867	3.1383	3.5456	3.8668	4.4186	3.2068	3.8498	1.7844		1.7834
H12	2.1863	1.1011	2.5867	3.5456	3.1383	4.4186	3.8668	3.8498	3.2068	1.7844	1.7834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.581	C1	C2	H11	110.679
C1	C2	H12	110.679	C1	C4	H5	60.059
C1	C4	H6	118.261	C1	C4	H8	117.845
C1	H5	C4	60.059	C1	H5	H7	118.261
C1	H5	H9	117.845	C2	C1	C3	114.254
C2	C1	C4	120.335	C2	C1	H5	120.335
C3	C1	C4	115.755	C3	C1	H5	115.755
C4	C1	H5	59.881	C4	H5	H7	118.273
C4	H5	H9	117.693	H5	C4	H6	118.273
H5	C4	H8	117.693	H6	C4	H8	114.280
H7	H5	H9	114.280	H10	C2	H11	108.329
H10	C2	H12	108.329	H11	C2	H12	108.154

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: B2PLYP=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: B2PLYP=FULL/STO-3G

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)