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	hartrees
Energy at 0K	-155.419909
Energy at 298.15K
HF Energy	-154.866374
Nuclear repulsion energy	107.864452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3312	3154	0.10
2	A'	3151	3001	17.82
3	A'	3079	2932	62.74
4	A'	3063	2917	24.03
5	A'	1889	1799	9.95
6	A'	1575	1500	7.24
7	A'	1536	1463	7.34
8	A'	1456	1387	0.01
9	A'	1243	1184	2.00
10	A'	1125	1071	10.75
11	A'	1107	1054	28.83
12	A'	1006	958	4.42
13	A'	968	922	13.06
14	A'	696	662	0.23
15	A'	331	315	1.42
16	A"	3140	2990	53.74
17	A"	3130	2980	19.20
18	A"	1528	1456	7.09
19	A"	1149	1094	1.21
20	A"	1070	1019	0.40
21	A"	1014	966	1.79
22	A"	695	661	30.97
23	A"	290	276	10.75
24	A"	149	142	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.178	0.000
C2	-0.049	-1.331	0.000
C3	1.156	-0.420	0.000
C4	-0.838	1.401	0.000
H5	-0.328	-1.867	0.914
H6	-0.328	-1.867	-0.914
H7	2.237	-0.375	0.000
H8	-0.219	2.305	0.000
H9	-1.488	1.419	-0.884
H10	-1.488	1.419	0.884

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5098	1.3017	1.4833	2.2635	2.2635	2.3038	2.1387	2.1306	2.1306
C2	1.5098		1.5112	2.8444	1.0956	1.0956	2.4776	3.6405	3.2282	3.2282
C3	1.3017	1.5112		2.7012	2.2658	2.2658	1.0811	3.0524	3.3408	3.3408
C4	1.4833	2.8444	2.7012		3.4317	3.4317	3.5511	1.0959	1.0977	1.0977
H5	2.2635	1.0956	2.2658	3.4317		1.8282	3.1049	4.2724	3.9218	3.4852
H6	2.2635	1.0956	2.2658	3.4317	1.8282		3.1049	4.2724	3.4852	3.9218
H7	2.3038	2.4776	1.0811	3.5511	3.1049	3.1049		3.6346	4.2281	4.2281
H8	2.1387	3.6405	3.0524	1.0959	4.2724	4.2724	3.6346		1.7829	1.7829
H9	2.1306	3.2282	3.3408	1.0977	3.9218	3.4852	4.2281	1.7829		1.7689
H10	2.1306	3.2282	3.3408	1.0977	3.4852	3.9218	4.2281	1.7829	1.7689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	51.050	H1	C2	C6	119.787
C2	C3	C6	24.789	C2	C3	C10	72.577
C2	C6	C3	35.332	C2	C6	H4	49.472
C2	C6	H5	33.455	C3	C2	C6	119.879
C3	C6	H4	51.813	C3	C6	H5	66.206
C3	C10	H7	9.425	C3	C10	H8	65.064
C3	C10	H9	74.648	H4	C6	H5	74.552
C6	C3	C10	86.539	H7	C10	H8	58.644
H7	C10	H9	77.926	H8	C10	H9	60.261

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

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