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	hartrees
Energy at 0K	-156.681487
Energy at 298.15K	-156.690099
HF Energy	-156.094634
Nuclear repulsion energy	123.821677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3234	3103
2	A'	3155	3027
3	A'	3149	3020
4	A'	3111	2984
5	A'	3039	2915
6	A'	1557	1494
7	A'	1543	1480
8	A'	1467	1408
9	A'	1429	1371
10	A'	1258	1207
11	A'	1236	1186
12	A'	1096	1052
13	A'	1022	981
14	A'	960	921
15	A'	813	780
16	A'	787	755
17	A'	369	354
18	A"	3221	3090
19	A"	3143	3015
20	A"	3114	2987
21	A"	1536	1473
22	A"	1507	1445
23	A"	1223	1174
24	A"	1179	1131
25	A"	1135	1089
26	A"	1097	1052
27	A"	895	858
28	A"	841	807
29	A"	344	330
30	A"	222	213

Atom	x (Å)	y (Å)	z (Å)
C1	0.349	0.406	0.000
C2	-0.886	1.283	0.000
H3	1.295	0.950	0.000
C4	0.349	-0.901	0.757
C5	0.349	-0.901	-0.757
H6	1.258	-1.206	1.273
H7	1.258	-1.206	-1.273
H8	-0.571	-1.190	1.266
H9	-0.571	-1.190	-1.266
H10	-1.795	0.665	0.000
H11	-0.917	1.927	0.890
H12	-0.917	1.927	-0.890

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5144	1.0922	1.5102	1.5102	2.2465	2.2465	2.2349	2.2349	2.1587	2.1700	2.1700
C2	1.5144		2.2062	2.6207	2.6207	3.5233	3.5233	2.7962	2.7962	1.0996	1.0993	1.0993
H3	1.0922	2.2062		2.2129	2.2129	2.5047	2.5047	3.1092	3.1092	3.1031	2.5770	2.5770
C4	1.5102	2.6207	2.2129		1.5134	1.0893	2.2451	1.0902	2.2407	2.7599	3.1014	3.5091
C5	1.5102	2.6207	2.2129	1.5134		2.2451	1.0893	2.2407	1.0902	2.7599	3.5091	3.1014
H6	2.2465	3.5233	2.5047	1.0893	2.2451		2.5466	1.8290	3.1294	3.7998	3.8333	4.3851
H7	2.2465	3.5233	2.5047	2.2451	1.0893	2.5466		3.1294	1.8290	3.7998	4.3851	3.8333
H8	2.2349	2.7962	3.1092	1.0902	2.2407	1.8290	3.1294		2.5321	2.5571	3.1587	3.8061
H9	2.2349	2.7962	3.1092	2.2407	1.0902	3.1294	1.8290	2.5321		2.5571	3.8061	3.1587
H10	2.1587	1.0996	3.1031	2.7599	2.7599	3.7998	3.7998	2.5571	2.5571		1.7770	1.7770
H11	2.1700	1.0993	2.5770	3.1014	3.5091	3.8333	4.3851	3.1587	3.8061	1.7770		1.7808
H12	2.1700	1.0993	2.5770	3.5091	3.1014	4.3851	3.8333	3.8061	3.1587	1.7770	1.7808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.339	C1	C2	H11	111.258
C1	C2	H12	111.258	C1	C4	H5	59.930
C1	C4	H6	118.688	C1	C4	H8	117.599
C1	H5	C4	59.930	C1	H5	H7	118.688
C1	H5	H9	117.599	C2	C1	C3	114.680
C2	C1	C4	120.100	C2	C1	H5	120.100
C3	C1	C4	115.560	C3	C1	H5	115.560
C4	C1	H5	60.140	C4	H5	H7	118.309
C4	H5	H9	117.852	H5	C4	H6	118.309
H5	C4	H8	117.852	H6	C4	H8	114.100
H7	H5	H9	114.100	H10	C2	H11	107.829
H10	C2	H12	107.829	H11	C2	H12	108.190

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: QCISD(T)/6-31G*

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: QCISD(T)/6-31G*

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)