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	hartrees
Energy at 0K	-155.592278
Energy at 298.15K	-155.600961
HF Energy	-155.221972
Nuclear repulsion energy	123.256304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3295	3146	16.90
2	A'	3217	3072	10.34
3	A'	3199	3054	7.08
4	A'	3141	2999	19.98
5	A'	3073	2934	21.81
6	A'	1604	1532	6.53
7	A'	1574	1503	2.16
8	A'	1498	1430	4.15
9	A'	1437	1372	1.26
10	A'	1265	1208	0.16
11	A'	1204	1150	0.09
12	A'	1136	1085	21.12
13	A'	1017	971	0.06
14	A'	958	915	6.93
15	A'	827	790	0.67
16	A'	763	729	6.87
17	A'	376	359	0.17
18	A"	3279	3131	0.15
19	A"	3193	3049	13.16
20	A"	3145	3003	24.50
21	A"	1596	1524	1.77
22	A"	1558	1488	2.95
23	A"	1243	1187	0.54
24	A"	1220	1165	0.32
25	A"	1170	1117	7.79
26	A"	1146	1094	0.88
27	A"	881	841	1.22
28	A"	842	804	11.90
29	A"	356	340	1.11
30	A"	227	217	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.355	0.419	0.000
C2	-0.902	1.277	0.000
H3	1.290	0.970	0.000
C4	0.355	-0.903	0.767
C5	0.355	-0.903	-0.767
H6	1.264	-1.204	1.274
H7	1.264	-1.204	-1.274
H8	-0.563	-1.184	1.270
H9	-0.563	-1.184	-1.270
H10	-1.793	0.637	0.000
H11	-0.940	1.916	0.890
H12	-0.940	1.916	-0.890

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5225	1.0852	1.5286	1.5286	2.2546	2.2546	2.2414	2.2414	2.1595	2.1702	2.1702
C2	1.5225		2.2139	2.6312	2.6312	3.5318	3.5318	2.7894	2.7894	1.0967	1.0960	1.0960
H3	1.0852	2.2139		2.2297	2.2297	2.5201	2.5201	3.1122	3.1122	3.1012	2.5805	2.5805
C4	1.5286	2.6312	2.2297		1.5349	1.0833	2.2547	1.0840	2.2523	2.7526	3.1045	3.5170
C5	1.5286	2.6312	2.2297	1.5349		2.2547	1.0833	2.2523	1.0840	2.7526	3.5170	3.1045
H6	2.2546	3.5318	2.5201	1.0833	2.2547		2.5476	1.8280	3.1322	3.7896	3.8392	4.3901
H7	2.2546	3.5318	2.5201	2.2547	1.0833	2.5476		3.1322	1.8280	3.7896	4.3901	3.8392
H8	2.2414	2.7894	3.1122	1.0840	2.2523	1.8280	3.1322		2.5394	2.5375	3.1450	3.7961
H9	2.2414	2.7894	3.1122	2.2523	1.0840	3.1322	1.8280	2.5394		2.5375	3.7961	3.1450
H10	2.1595	1.0967	3.1012	2.7526	2.7526	3.7896	3.7896	2.5375	2.5375		1.7761	1.7761
H11	2.1702	1.0960	2.5805	3.1045	3.5170	3.8392	4.3901	3.1450	3.7961	1.7761		1.7795
H12	2.1702	1.0960	2.5805	3.5170	3.1045	4.3901	3.8392	3.7961	3.1450	1.7761	1.7795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.007	C1	C2	H11	110.898
C1	C2	H12	110.898	C1	C4	H5	59.864
C1	C4	H6	118.362	C1	C4	H8	117.151
C1	H5	C4	59.864	C1	H5	H7	118.362
C1	H5	H9	117.151	C2	C1	C3	115.173
C2	C1	C4	119.168	C2	C1	H5	119.168
C3	C1	C4	116.057	C3	C1	H5	116.057
C4	C1	H5	60.273	C4	H5	H7	117.867
C4	H5	H9	117.603	H5	C4	H6	117.867
H5	C4	H8	117.603	H6	C4	H8	115.013
H7	H5	H9	115.013	H10	C2	H11	108.197
H10	C2	H12	108.197	H11	C2	H12	108.556

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: MP2=FULL/3-21G

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/3-21G

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)