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	hartrees
Energy at 0K	-155.516644
Energy at 298.15K
HF Energy	-154.928205
Nuclear repulsion energy	109.035741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3398	3398	1.26
2	A'	3227	3227	15.56
3	A'	3152	3152	71.77
4	A'	3139	3139	21.96
5	A'	1945	1945	15.31
6	A'	1596	1596	4.43
7	A'	1547	1547	8.72
8	A'	1471	1471	0.02
9	A'	1255	1255	4.20
10	A'	1147	1147	6.24
11	A'	1137	1137	31.73
12	A'	1027	1027	6.86
13	A'	993	993	14.34
14	A'	716	716	0.74
15	A'	335	335	1.63
16	A"	3217	3217	41.14
17	A"	3204	3204	16.58
18	A"	1545	1545	8.08
19	A"	1174	1174	2.05
20	A"	1105	1105	0.37
21	A"	1036	1036	1.84
22	A"	796	796	37.22
23	A"	317	317	12.81
24	A"	166	166	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.175	0.000
C2	-0.020	-1.322	0.000
C3	1.152	-0.388	0.000
C4	-0.861	1.370	0.000
H5	-0.282	-1.852	0.905
H6	-0.282	-1.852	-0.905
H7	2.216	-0.321	0.000
H8	-0.271	2.277	0.000
H9	-1.503	1.368	-0.874
H10	-1.503	1.368	0.874

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4964	1.2818	1.4727	2.2375	2.2375	2.2710	2.1201	2.1086	2.1086
C2	1.4964		1.4982	2.8196	1.0812	1.0812	2.4503	3.6077	3.1933	3.1933
C3	1.2818	1.4982		2.6719	2.2403	2.2403	1.0669	3.0214	3.3006	3.3006
C4	1.4727	2.8196	2.6719		3.3962	3.3962	3.5107	1.0822	1.0842	1.0842
H5	2.2375	1.0812	2.2403	3.3962		1.8097	3.0673	4.2275	3.8760	3.4441
H6	2.2375	1.0812	2.2403	3.3962	1.8097		3.0673	4.2275	3.4441	3.8760
H7	2.2710	2.4503	1.0669	3.5107	3.0673	3.0673		3.5968	4.1770	4.1770
H8	2.1201	3.6077	3.0214	1.0822	4.2275	4.2275	3.5968		1.7624	1.7624
H9	2.1086	3.1933	3.3006	1.0842	3.8760	3.4441	4.1770	1.7624		1.7471
H10	2.1086	3.1933	3.3006	1.0842	3.4441	3.8760	4.1770	1.7624	1.7471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.684	H1	C2	C6	119.599
C2	C3	C6	24.786	C2	C3	C10	72.697
C2	C6	C3	35.515	C2	C6	H4	49.668
C2	C6	H5	33.187	C3	C2	C6	119.699
C3	C6	H4	51.783	C3	C6	H5	66.178
C3	C10	H7	9.398	C3	C10	H8	65.248
C3	C10	H9	74.653	H4	C6	H5	74.548
C6	C3	C10	86.554	H7	C10	H8	58.849
H7	C10	H9	77.928	H8	C10	H9	60.287

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

using model chemistry: CISD/Def2TZVPP

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: CISD/Def2TZVPP

States and conformations

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