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	hartrees
Energy at 0K	-156.860366
Energy at 298.15K	-156.854748
HF Energy	-156.093280
Nuclear repulsion energy	124.490832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3374	3374	45.24
2	A'	3301	3301	17.32
3	A'	3290	3290	31.40
4	A'	3243	3243	29.76
5	A'	3178	3178	41.62
6	A'	1662	1662	0.80
7	A'	1636	1636	5.61
8	A'	1567	1567	2.19
9	A'	1516	1516	3.46
10	A'	1332	1332	0.08
11	A'	1300	1300	0.09
12	A'	1177	1177	2.97
13	A'	1068	1068	8.73
14	A'	1016	1016	3.95
15	A'	853	853	3.54
16	A'	825	825	4.60
17	A'	387	387	0.17
18	A"	3358	3358	0.31
19	A"	3281	3281	37.03
20	A"	3242	3242	45.67
21	A"	1628	1628	1.15
22	A"	1601	1601	0.76
23	A"	1307	1307	0.24
24	A"	1261	1261	0.43
25	A"	1208	1208	3.99
26	A"	1193	1193	0.50
27	A"	945	945	10.65
28	A"	887	887	5.39
29	A"	365	365	0.51
30	A"	238	238	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.346	0.398	0.000
C2	-0.880	1.287	0.000
H3	1.283	0.935	0.000
C4	0.346	-0.900	0.752
C5	0.346	-0.900	-0.752
H6	1.247	-1.202	1.262
H7	1.247	-1.202	-1.262
H8	-0.562	-1.193	1.257
H9	-0.562	-1.193	-1.257
H10	-1.794	0.694	0.000
H11	-0.901	1.927	0.881
H12	-0.901	1.927	-0.881

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5142	1.0807	1.5002	1.5002	2.2281	2.2281	2.2213	2.2213	2.1597	2.1610	2.1610
C2	1.5142		2.1917	2.6175	2.6175	3.5087	3.5087	2.7979	2.7979	1.0889	1.0891	1.0891
H3	1.0807	2.1917		2.1941	2.1941	2.4823	2.4823	3.0846	3.0846	3.0863	2.5558	2.5558
C4	1.5002	2.6175	2.1941		1.5036	1.0788	2.2272	1.0795	2.2238	2.7720	3.0930	3.4950
C5	1.5002	2.6175	2.1941	1.5036		2.2272	1.0788	2.2238	1.0795	2.7720	3.4950	3.0930
H6	2.2281	3.5087	2.4823	1.0788	2.2272		2.5249	1.8095	3.1019	3.7991	3.8146	4.3587
H7	2.2281	3.5087	2.4823	2.2272	1.0788	2.5249		3.1019	1.8095	3.7991	4.3587	3.8146
H8	2.2213	2.7979	3.0846	1.0795	2.2238	1.8095	3.1019		2.5139	2.5798	3.1606	3.7970
H9	2.2213	2.7979	3.0846	2.2238	1.0795	3.1019	1.8095	2.5139		2.5798	3.7970	3.1606
H10	2.1597	1.0889	3.0863	2.7720	2.7720	3.7991	3.7991	2.5798	2.5798		1.7584	1.7584
H11	2.1610	1.0891	2.5558	3.0930	3.4950	3.8146	4.3587	3.1606	3.7970	1.7584		1.7614
H12	2.1610	1.0891	2.5558	3.4950	3.0930	4.3587	3.8146	3.7970	3.1606	1.7584	1.7614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	111.075	C1	C2	H11	111.164
C1	C2	H12	111.164	C1	C4	H5	59.924
C1	C4	H6	118.614	C1	C4	H8	117.956
C1	H5	C4	59.924	C1	H5	H7	118.614
C1	H5	H9	117.956	C2	C1	C3	114.225
C2	C1	C4	120.532	C2	C1	H5	120.532
C3	C1	C4	115.494	C3	C1	H5	115.494
C4	C1	H5	60.151	C4	H5	H7	118.252
C4	H5	H9	117.901	H5	C4	H6	118.252
H5	C4	H8	117.901	H6	C4	H8	113.935
H7	H5	H9	113.935	H10	C2	H11	107.675
H10	C2	H12	107.675	H11	C2	H12	107.924

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)