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	hartrees
Energy at 0K	-155.341421
Energy at 298.15K
HF Energy	-154.867710
Nuclear repulsion energy	108.570214

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3404	3144	0.05
2	A'	3239	2992	16.73
3	A'	3157	2916	65.72
4	A'	3148	2908	25.68
5	A'	1968	1818	10.57
6	A'	1619	1495	7.92
7	A'	1573	1453	7.85
8	A'	1497	1383	0.02
9	A'	1282	1184	2.24
10	A'	1164	1076	15.72
11	A'	1148	1061	24.61
12	A'	1038	959	5.98
13	A'	1002	926	14.44
14	A'	725	669	0.26
15	A'	340	314	1.45
16	A"	3219	2973	34.93
17	A"	3217	2971	40.26
18	A"	1567	1447	7.61
19	A"	1185	1094	1.46
20	A"	1108	1023	0.71
21	A"	1043	963	1.93
22	A"	760	702	34.03
23	A"	311	287	11.29
24	A"	155	143	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.175	0.000
C2	-0.027	-1.324	0.000
C3	1.154	-0.399	0.000
C4	-0.855	1.381	0.000
H5	-0.298	-1.862	0.908
H6	-0.298	-1.862	-0.908
H7	2.226	-0.340	0.000
H8	-0.255	2.289	0.000
H9	-1.501	1.387	-0.879
H10	-1.501	1.387	0.879

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4996	1.2887	1.4782	2.2499	2.2499	2.2851	2.1295	2.1202	2.1202
C2	1.4996		1.5002	2.8288	1.0893	1.0893	2.4591	3.6207	3.2088	3.2088
C3	1.2887	1.5002		2.6839	2.2517	2.2517	1.0742	3.0351	3.3185	3.3185
C4	1.4782	2.8288	2.6839		3.4132	3.4132	3.5294	1.0889	1.0908	1.0908
H5	2.2499	1.0893	2.2517	3.4132		1.8160	3.0838	4.2495	3.8984	3.4649
H6	2.2499	1.0893	2.2517	3.4132	1.8160		3.0838	4.2495	3.4649	3.8984
H7	2.2851	2.4591	1.0742	3.5294	3.0838	3.0838		3.6153	4.2013	4.2013
H8	2.1295	3.6207	3.0351	1.0889	4.2495	4.2495	3.6153		1.7720	1.7720
H9	2.1202	3.2088	3.3185	1.0908	3.8984	3.4649	4.2013	1.7720		1.7576
H10	2.1202	3.2088	3.3185	1.0908	3.4649	3.8984	4.2013	1.7720	1.7576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.883	H1	C2	C6	119.867
C2	C3	C6	24.775	C2	C3	C10	72.666
C2	C6	C3	35.250	C2	C6	H4	49.450
C2	C6	H5	33.530	C3	C2	C6	119.975
C3	C6	H4	51.748	C3	C6	H5	66.218
C3	C10	H7	9.401	C3	C10	H8	65.160
C3	C10	H9	74.644	H4	C6	H5	74.571
C6	C3	C10	86.605	H7	C10	H8	58.765
H7	C10	H9	77.926	H8	C10	H9	60.268

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

using model chemistry: CID/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 C4H6 (1-Methylcyclopropene)

using model chemistry: CID/6-31G*

States and conformations

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