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	hartrees
Energy at 0K	-156.736296
Energy at 298.15K	-156.744911
HF Energy	-156.106051
Nuclear repulsion energy	123.443702

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3262	3262	23.42
2	A'	3180	3180	15.42
3	A'	3168	3168	14.94
4	A'	3137	3137	18.96
5	A'	3056	3056	32.83
6	A'	1535	1535	1.09
7	A'	1500	1500	6.64
8	A'	1445	1445	1.96
9	A'	1397	1397	2.67
10	A'	1243	1243	0.14
11	A'	1220	1220	0.07
12	A'	1075	1075	3.23
13	A'	1016	1016	9.07
14	A'	944	944	1.93
15	A'	807	807	6.18
16	A'	777	777	1.11
17	A'	362	362	0.23
18	A"	3248	3248	0.20
19	A"	3160	3160	19.40
20	A"	3137	3137	29.04
21	A"	1493	1493	1.61
22	A"	1467	1467	1.50
23	A"	1201	1201	0.45
24	A"	1156	1156	0.20
25	A"	1116	1116	3.25
26	A"	1082	1082	0.80
27	A"	895	895	8.22
28	A"	823	823	3.71
29	A"	343	343	0.48
30	A"	230	230	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.350	0.409	0.000
C2	-0.889	1.282	0.000
H3	1.301	0.956	0.000
C4	0.350	-0.902	0.760
C5	0.350	-0.902	-0.760
H6	1.266	-1.208	1.274
H7	1.266	-1.208	-1.274
H8	-0.576	-1.192	1.268
H9	-0.576	-1.192	-1.268
H10	-1.802	0.660	0.000
H11	-0.923	1.930	0.894
H12	-0.923	1.930	-0.894

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5162	1.0970	1.5151	1.5151	2.2531	2.2531	2.2419	2.2419	2.1668	2.1760	2.1760
C2	1.5162		2.2144	2.6239	2.6239	3.5313	3.5313	2.7974	2.7974	1.1049	1.1048	1.1048
H3	1.0970	2.2144		2.2209	2.2209	2.5110	2.5110	3.1212	3.1212	3.1172	2.5875	2.5875
C4	1.5151	2.6239	2.2209		1.5197	1.0943	2.2519	1.0954	2.2478	2.7658	3.1082	3.5183
C5	1.5151	2.6239	2.2209	1.5197		2.2519	1.0943	2.2478	1.0954	2.7658	3.5183	3.1082
H6	2.2531	3.5313	2.5110	1.0943	2.2519		2.5489	1.8426	3.1396	3.8115	3.8449	4.3980
H7	2.2531	3.5313	2.5110	2.2519	1.0943	2.5489		3.1396	1.8426	3.8115	4.3980	3.8449
H8	2.2419	2.7974	3.1212	1.0954	2.2478	1.8426	3.1396		2.5352	2.5571	3.1633	3.8132
H9	2.2419	2.7974	3.1212	2.2478	1.0954	3.1396	1.8426	2.5352		2.5571	3.8132	3.1633
H10	2.1668	1.1049	3.1172	2.7658	2.7658	3.8115	3.8115	2.5571	2.5571		1.7851	1.7851
H11	2.1760	1.1048	2.5875	3.1082	3.5183	3.8449	4.3980	3.1633	3.8132	1.7851		1.7885
H12	2.1760	1.1048	2.5875	3.5183	3.1082	4.3980	3.8449	3.8132	3.1633	1.7851	1.7885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.537	C1	C2	H11	111.272
C1	C2	H12	111.272	C1	C4	H5	59.900
C1	C4	H6	118.519	C1	C4	H8	117.463
C1	H5	C4	59.900	C1	H5	H7	118.519
C1	H5	H9	117.463	C2	C1	C3	114.915
C2	C1	C4	119.903	C2	C1	H5	119.903
C3	C1	C4	115.547	C3	C1	H5	115.547
C4	C1	H5	60.199	C4	H5	H7	118.050
C4	H5	H9	117.616	H5	C4	H6	118.050
H5	C4	H8	117.616	H6	C4	H8	114.595
H7	H5	H9	114.595	H10	C2	H11	107.768
H10	C2	H12	107.768	H11	C2	H12	108.075

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: CCSD=FULL/cc-pVDZ

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: CCSD=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)