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	hartrees
Energy at 0K	-155.592278
Energy at 298.15K	-155.600950
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	3124	16.90
2	A'	3217	3050	10.34
3	A'	3199	3033	7.08
4	A'	3141	2978	19.98
5	A'	3073	2913	21.81
6	A'	1604	1521	6.53
7	A'	1574	1492	2.16
8	A'	1498	1420	4.15
9	A'	1437	1362	1.26
10	A'	1265	1200	0.16
11	A'	1204	1142	0.09
12	A'	1136	1077	21.12
13	A'	1017	964	0.06
14	A'	958	909	6.93
15	A'	827	784	0.67
16	A'	763	724	6.87
17	A'	376	357	0.17
18	A"	3279	3109	0.15
19	A"	3193	3027	13.16
20	A"	3145	2981	24.50
21	A"	1596	1513	1.77
22	A"	1558	1477	2.95
23	A"	1243	1178	0.54
24	A"	1220	1157	0.32
25	A"	1170	1109	7.79
26	A"	1146	1086	0.88
27	A"	881	835	1.22
28	A"	842	798	11.90
29	A"	356	337	1.11
30	A"	227	215	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)