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	hartrees
Energy at 0K	-155.470444
Energy at 298.15K
HF Energy	-154.880763
Nuclear repulsion energy	108.055917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3358	3165	0.03
2	A'	3201	3016	19.09
3	A'	3125	2945	67.89
4	A'	3105	2926	27.60
5	A'	1898	1789	13.10
6	A'	1584	1492	7.33
7	A'	1536	1447	7.58
8	A'	1458	1374	0.03
9	A'	1240	1169	3.22
10	A'	1124	1059	2.71
11	A'	1116	1051	35.57
12	A'	1009	951	5.28
13	A'	971	915	13.63
14	A'	695	655	0.65
15	A'	332	313	1.41
16	A"	3194	3010	45.35
17	A"	3180	2996	19.29
18	A"	1527	1439	7.33
19	A"	1152	1086	2.16
20	A"	1069	1007	0.00
21	A"	1010	952	1.31
22	A"	688	649	40.91
23	A"	278	262	15.07
24	A"	148	140	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.177	0.000
C2	-0.050	-1.331	0.000
C3	1.156	-0.418	0.000
C4	-0.839	1.400	0.000
H5	-0.324	-1.861	0.911
H6	-0.324	-1.861	-0.911
H7	2.230	-0.372	0.000
H8	-0.221	2.297	0.000
H9	-1.484	1.416	-0.880
H10	-1.484	1.416	0.880

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5093	1.3003	1.4830	2.2560	2.2560	2.2964	2.1318	2.1238	2.1238
C2	1.5093		1.5126	2.8432	1.0887	1.0887	2.4731	3.6328	3.2214	3.2214
C3	1.3003	1.5126		2.6991	2.2590	2.2590	1.0747	3.0446	3.3326	3.3326
C4	1.4830	2.8432	2.6991		3.4251	3.4251	3.5435	1.0897	1.0914	1.0914
H5	2.2560	1.0887	2.2590	3.4251		1.8211	3.0935	4.2587	3.9104	3.4763
H6	2.2560	1.0887	2.2590	3.4251	1.8211		3.0935	4.2587	3.4763	3.9104
H7	2.2964	2.4731	1.0747	3.5435	3.0935	3.0935		3.6236	4.2143	4.2143
H8	2.1318	3.6328	3.0446	1.0897	4.2587	4.2587	3.6236		1.7743	1.7743
H9	2.1238	3.2214	3.3326	1.0914	3.9104	3.4763	4.2143	1.7743		1.7608
H10	2.1238	3.2214	3.3326	1.0914	3.4763	3.9104	4.2143	1.7743	1.7608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.973	H1	C2	C6	119.662
C2	C3	C6	24.759	C2	C3	C10	72.590
C2	C6	C3	35.580	C2	C6	H4	49.605
C2	C6	H5	33.245	C3	C2	C6	119.661
C3	C6	H4	51.897	C3	C6	H5	66.230
C3	C10	H7	9.403	C3	C10	H8	65.070
C3	C10	H9	74.682	H4	C6	H5	74.583
C6	C3	C10	86.505	H7	C10	H8	58.660
H7	C10	H9	77.942	H8	C10	H9	60.250

All results from a given calculation for C₄H₆ (1-Methylcyclopropene)

using model chemistry: CCD/6-31+G**

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 C4H6 (1-Methylcyclopropene)

using model chemistry: CCD/6-31+G**

States and conformations

All results from a given calculation for C₄H₆ (1-Methylcyclopropene)