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	hartrees
Energy at 0K	-157.164536
Energy at 298.15K	-157.173015
HF Energy	-157.164536
Nuclear repulsion energy	123.313393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3133	3125	31.65
2	A'	3054	3047	20.49
3	A'	3050	3042	17.05
4	A'	3003	2995	22.62
5	A'	2946	2939	40.07
6	A'	1472	1468	1.26
7	A'	1468	1464	7.99
8	A'	1387	1383	3.04
9	A'	1361	1357	3.36
10	A'	1195	1192	0.01
11	A'	1175	1173	0.03
12	A'	1013	1010	13.50
13	A'	965	962	3.56
14	A'	918	916	3.77
15	A'	777	775	2.25
16	A'	738	736	5.24
17	A'	361	360	0.19
18	A"	3117	3109	0.31
19	A"	3047	3039	31.25
20	A"	2996	2989	34.33
21	A"	1461	1457	2.17
22	A"	1440	1437	2.25
23	A"	1167	1164	0.80
24	A"	1109	1106	0.03
25	A"	1079	1077	3.94
26	A"	1036	1033	1.84
27	A"	825	823	5.55
28	A"	803	801	7.70
29	A"	337	336	0.73
30	A"	218	218	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.347	0.403	0.000
C2	-0.882	1.299	0.000
H3	1.296	0.943	0.000
C4	0.347	-0.910	0.761
C5	0.347	-0.910	-0.761
H6	1.256	-1.215	1.277
H7	1.256	-1.215	-1.277
H8	-0.572	-1.202	1.268
H9	-0.572	-1.202	-1.268
H10	-1.806	0.703	0.000
H11	-0.904	1.947	0.889
H12	-0.904	1.947	-0.889

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5205	1.0918	1.5179	1.5179	2.2532	2.2532	2.2430	2.2430	2.1735	2.1766	2.1766
C2	1.5205		2.2066	2.6398	2.6398	3.5387	3.5387	2.8214	2.8214	1.0996	1.1002	1.1002
H3	1.0918	2.2066		2.2168	2.2168	2.5081	2.5081	3.1146	3.1146	3.1111	2.5765	2.5765
C4	1.5179	2.6398	2.2168		1.5215	1.0890	2.2518	1.0898	2.2467	2.7956	3.1215	3.5283
C5	1.5179	2.6398	2.2168	1.5215		2.2518	1.0890	2.2467	1.0898	2.7956	3.5283	3.1215
H6	2.2532	3.5387	2.5081	1.0890	2.2518		2.5533	1.8284	3.1337	3.8322	3.8492	4.3995
H7	2.2532	3.5387	2.5081	2.2518	1.0890	2.5533		3.1337	1.8284	3.8322	4.3995	3.8492
H8	2.2430	2.8214	3.1146	1.0898	2.2467	1.8284	3.1337		2.5369	2.6000	3.1890	3.8315
H9	2.2430	2.8214	3.1146	2.2467	1.0898	3.1337	1.8284	2.5369		2.6000	3.8315	3.1890
H10	2.1735	1.0996	3.1111	2.7956	2.7956	3.8322	3.8322	2.6000	2.6000		1.7750	1.7750
H11	2.1766	1.1002	2.5765	3.1215	3.5283	3.8492	4.3995	3.1890	3.8315	1.7750		1.7779
H12	2.1766	1.1002	2.5765	3.5283	3.1215	4.3995	3.8492	3.8315	3.1890	1.7750	1.7779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	111.088	C1	C2	H11	111.302
C1	C2	H12	111.302	C1	C4	H5	59.922
C1	C4	H6	118.682	C1	C4	H8	117.731
C1	H5	C4	59.922	C1	H5	H7	118.682
C1	H5	H9	117.731	C2	C1	C3	114.281
C2	C1	C4	120.644	C2	C1	H5	120.644
C3	C1	C4	115.331	C3	C1	H5	115.331
C4	C1	H5	60.156	C4	H5	H7	118.276
C4	H5	H9	117.765	H5	C4	H6	118.276
H5	C4	H8	117.765	H6	C4	H8	114.099
H7	H5	H9	114.099	H10	C2	H11	107.583
H10	C2	H12	107.583	H11	C2	H12	107.803

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: BLYP/TZVP

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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Number	Element	Mulliken
1	C	-0.087
2	C	-0.336
3	H	0.145
4	C	-0.290
5	C	-0.290
6	H	0.135
7	H	0.135
8	H	0.129
9	H	0.129
10	H	0.100
11	H	0.116
12	H	0.116

	x	y	z
x	6.866	-0.525	0.000
y	-0.525	7.702	0.000
z	0.000	0.000	7.123

<r²>	85.075
(<r²>)^1/2	9.224

All results from a given calculation for C4H8 (methylcyclopropane)

using model chemistry: BLYP/TZVP

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)