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	hartrees
Energy at 0K	-155.467037
Energy at 298.15K
HF Energy	-154.877777
Nuclear repulsion energy	107.094870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3299	3165	0.16
2	A'	3156	3027	16.66
3	A'	3071	2946	62.53
4	A'	3059	2934	28.85
5	A'	1862	1786	11.00
6	A'	1524	1462	6.02
7	A'	1482	1422	7.19
8	A'	1410	1353	0.76
9	A'	1216	1167	2.27
10	A'	1100	1055	13.47
11	A'	1073	1030	20.76
12	A'	990	950	5.60
13	A'	945	906	11.59
14	A'	683	655	0.62
15	A'	319	306	1.35
16	A"	3142	3014	45.59
17	A"	3134	3007	21.63
18	A"	1479	1418	6.86
19	A"	1114	1069	1.57
20	A"	1045	1003	0.26
21	A"	992	951	1.85
22	A"	711	682	27.15
23	A"	290	278	10.25
24	A"	153	147	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.180	0.000
C2	-0.062	-1.340	0.000
C3	1.162	-0.433	0.000
C4	-0.831	1.417	0.000
H5	-0.346	-1.874	0.923
H6	-0.346	-1.874	-0.923
H7	2.251	-0.394	0.000
H8	-0.200	2.322	0.000
H9	-1.485	1.438	-0.891
H10	-1.485	1.438	0.891

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5219	1.3138	1.4905	2.2786	2.2786	2.3227	2.1513	2.1408	2.1408
C2	1.5219		1.5238	2.8630	1.1036	1.1036	2.4990	3.6651	3.2467	3.2467
C3	1.3138	1.5238		2.7196	2.2808	2.2808	1.0894	3.0732	3.3622	3.3622
C4	1.4905	2.8630	2.7196		3.4528	3.4528	3.5747	1.1035	1.1053	1.1053
H5	2.2786	1.1036	2.2808	3.4528		1.8469	3.1280	4.2991	3.9450	3.5033
H6	2.2786	1.1036	2.2808	3.4528	1.8469		3.1280	4.2991	3.5033	3.9450
H7	2.3227	2.4990	1.0894	3.5747	3.1280	3.1280		3.6580	4.2555	4.2555
H8	2.1513	3.6651	3.0732	1.1035	4.2991	4.2991	3.6580		1.7965	1.7965
H9	2.1408	3.2467	3.3622	1.1053	3.9450	3.5033	4.2555	1.7965		1.7812
H10	2.1408	3.2467	3.3622	1.1053	3.5033	3.9450	4.2555	1.7965	1.7812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	51.109	H1	C2	C6	119.582
C2	C3	C6	24.873	C2	C3	C10	72.478
C2	C6	C3	35.504	C2	C6	H4	49.561
C2	C6	H5	33.198	C3	C2	C6	119.623
C3	C6	H4	51.858	C3	C6	H5	66.117
C3	C10	H7	9.456	C3	C10	H8	65.096
C3	C10	H9	74.640	H4	C6	H5	74.488
C6	C3	C10	86.474	H7	C10	H8	58.645
H7	C10	H9	77.920	H8	C10	H9	60.281

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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