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	hartrees
Energy at 0K	-156.732987
Energy at 298.15K	-156.741670
HF Energy	-156.111037
Nuclear repulsion energy	124.285751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3305	3114	27.47
2	A'	3222	3036	15.97
3	A'	3212	3027	16.54
4	A'	3176	2993	21.94
5	A'	3096	2917	35.66
6	A'	1578	1487	0.95
7	A'	1552	1462	7.30
8	A'	1482	1396	3.28
9	A'	1442	1359	2.57
10	A'	1272	1198	0.07
11	A'	1247	1175	0.15
12	A'	1115	1051	7.38
13	A'	1033	973	11.22
14	A'	970	914	2.01
15	A'	823	775	4.23
16	A'	797	751	4.50
17	A'	373	351	0.21
18	A"	3292	3102	0.20
19	A"	3206	3021	23.33
20	A"	3176	2993	32.41
21	A"	1540	1452	1.74
22	A"	1522	1434	1.36
23	A"	1239	1167	0.65
24	A"	1192	1124	0.00
25	A"	1145	1079	3.20
26	A"	1121	1056	1.12
27	A"	907	855	10.65
28	A"	855	805	5.03
29	A"	352	331	0.54
30	A"	226	213	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.348	0.404	0.000
C2	-0.884	1.280	0.000
H3	1.288	0.944	0.000
C4	0.348	-0.898	0.755
C5	0.348	-0.898	-0.755
H6	1.252	-1.202	1.265
H7	1.252	-1.202	-1.265
H8	-0.567	-1.185	1.259
H9	-0.567	-1.185	-1.259
H10	-1.787	0.666	0.000
H11	-0.914	1.920	0.885
H12	-0.914	1.920	-0.885

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5119	1.0844	1.5059	1.5059	2.2359	2.2359	2.2242	2.2242	2.1511	2.1610	2.1610
C2	1.5119		2.1987	2.6146	2.6146	3.5112	3.5112	2.7864	2.7864	1.0920	1.0919	1.0919
H3	1.0844	2.1987		2.2022	2.2022	2.4916	2.4916	3.0918	3.0918	3.0882	2.5659	2.5659
C4	1.5059	2.6146	2.2022		1.5107	1.0816	2.2343	1.0826	2.2304	2.7526	3.0902	3.4960
C5	1.5059	2.6146	2.2022	1.5107		2.2343	1.0816	2.2304	1.0826	2.7526	3.4960	3.0902
H6	2.2359	3.5112	2.4916	1.0816	2.2343		2.5301	1.8189	3.1108	3.7854	3.8185	4.3656
H7	2.2359	3.5112	2.4916	2.2343	1.0816	2.5301		3.1108	1.8189	3.7854	4.3656	3.8185
H8	2.2242	2.7864	3.0918	1.0826	2.2304	1.8189	3.1108		2.5173	2.5498	3.1464	3.7887
H9	2.2242	2.7864	3.0918	2.2304	1.0826	3.1108	1.8189	2.5173		2.5498	3.7887	3.1464
H10	2.1511	1.0920	3.0882	2.7526	2.7526	3.7854	3.7854	2.5498	2.5498		1.7656	1.7656
H11	2.1610	1.0919	2.5659	3.0902	3.4960	3.8185	4.3656	3.1464	3.7887	1.7656		1.7694
H12	2.1610	1.0919	2.5659	3.4960	3.0902	4.3656	3.8185	3.7887	3.1464	1.7656	1.7694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.361	C1	C2	H11	111.165
C1	C2	H12	111.165	C1	C4	H5	59.894
C1	C4	H6	118.652	C1	C4	H8	117.540
C1	H5	C4	59.894	C1	H5	H7	118.652
C1	H5	H9	117.540	C2	C1	C3	114.745
C2	C1	C4	120.086	C2	C1	H5	120.086
C3	C1	C4	115.499	C3	C1	H5	115.499
C4	C1	H5	60.212	C4	H5	H7	118.117
C4	H5	H9	117.704	H5	C4	H6	118.117
H5	C4	H8	117.704	H6	C4	H8	114.377
H7	H5	H9	114.377	H10	C2	H11	107.889
H10	C2	H12	107.889	H11	C2	H12	108.242

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)