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	hartrees
Energy at 0K	-155.644513
Energy at 298.15K	-155.653114
HF Energy	-155.220788
Nuclear repulsion energy	122.710108

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3237	3169
2	A'	3161	3094
3	A'	3144	3078
4	A'	3080	3015
5	A'	3017	2953
6	A'	1579	1546
7	A'	1548	1516
8	A'	1478	1446
9	A'	1412	1382
10	A'	1246	1220
11	A'	1173	1149
12	A'	1116	1093
13	A'	997	976
14	A'	936	916
15	A'	809	792
16	A'	745	729
17	A'	369	361
18	A"	3221	3153
19	A"	3138	3071
20	A"	3084	3019
21	A"	1573	1539
22	A"	1532	1499
23	A"	1222	1196
24	A"	1198	1173
25	A"	1149	1125
26	A"	1127	1103
27	A"	865	846
28	A"	820	802
29	A"	349	342
30	A"	217	212

Atom	x (Å)	y (Å)	z (Å)
C1	0.358	0.423	0.000
C2	-0.908	1.280	0.000
H3	1.295	0.977	0.000
C4	0.358	-0.906	0.772
C5	0.358	-0.906	-0.772
H6	1.271	-1.209	1.279
H7	1.271	-1.209	-1.279
H8	-0.564	-1.187	1.277
H9	-0.564	-1.187	-1.277
H10	-1.800	0.633	0.000
H11	-0.949	1.921	0.893
H12	-0.949	1.921	-0.893

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5287	1.0893	1.5370	1.5370	2.2650	2.2650	2.2521	2.2521	2.1676	2.1787	2.1787
C2	1.5287		2.2244	2.6413	2.6413	3.5461	3.5461	2.7987	2.7987	1.1011	1.1002	1.1002
H3	1.0893	2.2244		2.2412	2.2412	2.5325	2.5325	3.1260	3.1260	3.1141	2.5927	2.5927
C4	1.5370	2.6413	2.2412		1.5432	1.0873	2.2646	1.0881	2.2641	2.7603	3.1164	3.5312
C5	1.5370	2.6413	2.2412	1.5432		2.2646	1.0873	2.2641	1.0881	2.7603	3.5312	3.1164
H6	2.2650	3.5461	2.5325	1.0873	2.2646		2.5571	1.8350	3.1464	3.8019	3.8555	4.4084
H7	2.2650	3.5461	2.5325	2.2646	1.0873	2.5571		3.1464	1.8350	3.8019	4.4084	3.8555
H8	2.2521	2.7987	3.1260	1.0881	2.2641	1.8350	3.1464		2.5546	2.5436	3.1544	3.8098
H9	2.2521	2.7987	3.1260	2.2641	1.0881	3.1464	1.8350	2.5546		2.5436	3.8098	3.1544
H10	2.1676	1.1011	3.1141	2.7603	2.7603	3.8019	3.8019	2.5436	2.5436		1.7834	1.7834
H11	2.1787	1.1002	2.5927	3.1164	3.5312	3.8555	4.4084	3.1544	3.8098	1.7834		1.7867
H12	2.1787	1.1002	2.5927	3.5312	3.1164	4.4084	3.8555	3.8098	3.1544	1.7834	1.7867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	109.961	C1	C2	H11	110.891
C1	C2	H12	110.891	C1	C4	H5	59.867
C1	C4	H6	118.323	C1	C4	H8	117.145
C1	H5	C4	59.867	C1	H5	H7	118.323
C1	H5	H9	117.145	C2	C1	C3	115.324
C2	C1	C4	118.987	C2	C1	H5	118.987
C3	C1	C4	116.118	C3	C1	H5	116.118
C4	C1	H5	60.267	C4	H5	H7	117.792
C4	H5	H9	117.696	H5	C4	H6	117.792
H5	C4	H8	117.696	H6	C4	H8	115.029
H7	H5	H9	115.029	H10	C2	H11	108.218
H10	C2	H12	108.218	H11	C2	H12	108.575

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: MP4=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: MP4=FULL/3-21G

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)