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	hartrees
Energy at 0K	-155.607234
Energy at 298.15K
HF Energy	-154.919778
Nuclear repulsion energy	108.274233

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3304	3116	0.39
2	A'	3141	2962	15.81
3	A'	3069	2894	65.56
4	A'	3053	2879	22.60
5	A'	1870	1764	14.13
6	A'	1545	1457	3.57
7	A'	1508	1423	8.72
8	A'	1430	1349	0.03
9	A'	1215	1145	3.72
10	A'	1105	1042	4.28
11	A'	1086	1024	31.26
12	A'	994	938	5.67
13	A'	959	904	13.40
14	A'	688	649	0.67
15	A'	323	305	1.57
16	A"	3137	2958	38.05
17	A"	3117	2939	14.68
18	A"	1504	1418	7.87
19	A"	1133	1068	1.75
20	A"	1064	1003	0.09
21	A"	1005	948	1.69
22	A"	731	690	33.51
23	A"	293	276	12.64
24	A"	161	151	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.177	0.000
C2	-0.030	-1.330	0.000
C3	1.158	-0.398	0.000
C4	-0.857	1.383	0.000
H5	-0.296	-1.860	0.913
H6	-0.296	-1.860	-0.913
H7	2.231	-0.338	0.000
H8	-0.259	2.294	0.000
H9	-1.505	1.387	-0.879
H10	-1.505	1.387	0.879

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5080	1.2935	1.4790	2.2523	2.2523	2.2902	2.1325	2.1212	2.1212
C2	1.5080		1.5104	2.8365	1.0887	1.0887	2.4696	3.6316	3.2142	3.2142
C3	1.2935	1.5104		2.6895	2.2558	2.2558	1.0747	3.0426	3.3243	3.3243
C4	1.4790	2.8365	2.6895		3.4154	3.4154	3.5353	1.0896	1.0918	1.0918
H5	2.2523	1.0887	2.2558	3.4154		1.8259	3.0890	4.2535	3.9005	3.4648
H6	2.2523	1.0887	2.2558	3.4154	1.8259		3.0890	4.2535	3.4648	3.9005
H7	2.2902	2.4696	1.0747	3.5353	3.0890	3.0890		3.6236	4.2078	4.2078
H8	2.1325	3.6316	3.0426	1.0896	4.2535	4.2535	3.6236		1.7736	1.7736
H9	2.1212	3.2142	3.3243	1.0918	3.9005	3.4648	4.2078	1.7736		1.7578
H10	2.1212	3.2142	3.3243	1.0918	3.4648	3.9005	4.2078	1.7736	1.7578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.748	H1	C2	C6	119.435
C2	C3	C6	24.827	C2	C3	C10	72.611
C2	C6	C3	35.628	C2	C6	H4	49.753
C2	C6	H5	33.013	C3	C2	C6	119.545
C3	C6	H4	51.841	C3	C6	H5	66.127
C3	C10	H7	9.383	C3	C10	H8	65.238
C3	C10	H9	74.669	H4	C6	H5	74.496
C6	C3	C10	86.463	H7	C10	H8	58.851
H7	C10	H9	77.944	H8	C10	H9	60.295

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

using model chemistry: CCSD/6-311+G(3df,2p)

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: CCSD/6-311+G(3df,2p)

States and conformations

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