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	hartrees
Energy at 0K	-155.486501
Energy at 298.15K
HF Energy	-154.883389
Nuclear repulsion energy	107.136601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3299	3299	0.13
2	A'	3133	3133	17.36
3	A'	3065	3065	70.02
4	A'	3041	3041	25.00
5	A'	1862	1862	12.60
6	A'	1525	1525	4.64
7	A'	1483	1483	7.62
8	A'	1404	1404	0.13
9	A'	1206	1206	3.47
10	A'	1088	1088	5.45
11	A'	1069	1069	24.82
12	A'	987	987	6.34
13	A'	941	941	12.42
14	A'	677	677	0.68
15	A'	321	321	1.42
16	A"	3137	3137	43.76
17	A"	3114	3114	15.78
18	A"	1477	1477	6.87
19	A"	1108	1108	1.99
20	A"	1044	1044	0.02
21	A"	990	990	1.57
22	A"	695	695	33.14
23	A"	276	276	12.20
24	A"	162	162	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.179	0.000
C2	-0.065	-1.343	0.000
C3	1.161	-0.431	0.000
C4	-0.830	1.418	0.000
H5	-0.344	-1.874	0.922
H6	-0.344	-1.874	-0.922
H7	2.246	-0.395	0.000
H8	-0.196	2.319	0.000
H9	-1.481	1.440	-0.890
H10	-1.481	1.440	0.890

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5232	1.3115	1.4915	2.2766	2.2766	2.3185	2.1487	2.1393	2.1393
C2	1.5232		1.5275	2.8652	1.1000	1.1000	2.4979	3.6639	3.2471	3.2471
C3	1.3115	1.5275		2.7172	2.2796	2.2796	1.0861	3.0662	3.3578	3.3578
C4	1.4915	2.8652	2.7172		3.4534	3.4534	3.5707	1.1014	1.1030	1.1030
H5	2.2766	1.1000	2.2796	3.4534		1.8436	3.1221	4.2955	3.9445	3.5040
H6	2.2766	1.1000	2.2796	3.4534	1.8436		3.1221	4.2955	3.5040	3.9445
H7	2.3185	2.4979	1.0861	3.5707	3.1221	3.1221		3.6505	4.2490	4.2490
H8	2.1487	3.6639	3.0662	1.1014	4.2955	4.2955	3.6505		1.7936	1.7936
H9	2.1393	3.2471	3.3578	1.1030	3.9445	3.5040	4.2490	1.7936		1.7794
H10	2.1393	3.2471	3.3578	1.1030	3.5040	3.9445	4.2490	1.7936	1.7794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.922	H1	C2	C6	119.556
C2	C3	C6	24.841	C2	C3	C10	72.618
C2	C6	C3	35.687	C2	C6	H4	49.579
C2	C6	H5	33.068	C3	C2	C6	119.472
C3	C6	H4	51.789	C3	C6	H5	66.148
C3	C10	H7	9.425	C3	C10	H8	65.002
C3	C10	H9	74.635	H4	C6	H5	74.518
C6	C3	C10	86.584	H7	C10	H8	58.582
H7	C10	H9	77.913	H8	C10	H9	60.261

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

using model chemistry: CCD/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

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