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	hartrees
Energy at 0K	-154.339904
Energy at 298.15K
HF Energy	-153.989085
Nuclear repulsion energy	107.358069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3373	3151	0.21
2	A'	3174	2966	13.21
3	A'	3165	2958	38.89
4	A'	3101	2898	17.43
5	A'	1872	1749	9.17
6	A'	1613	1508	4.50
7	A'	1600	1495	8.42
8	A'	1512	1413	1.00
9	A'	1227	1147	6.35
10	A'	1158	1082	4.37
11	A'	1129	1055	51.99
12	A'	998	933	0.76
13	A'	950	888	7.34
14	A'	646	604	0.15
15	A'	337	315	1.76
16	A"	3243	3030	40.16
17	A"	3154	2948	13.30
18	A"	1595	1490	7.87
19	A"	1169	1092	0.23
20	A"	1115	1042	2.97
21	A"	1052	983	2.16
22	A"	789	737	42.88
23	A"	314	294	14.47
24	A"	138	129	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.178	0.000
C2	-0.090	-1.360	0.000
C3	1.145	-0.436	0.000
C4	-0.798	1.432	0.000
H5	-0.367	-1.871	0.915
H6	-0.367	-1.871	-0.915
H7	2.215	-0.393	0.000
H8	-0.142	2.306	0.000
H9	-1.441	1.473	-0.884
H10	-1.441	1.473	0.884

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5401	1.2996	1.4869	2.2740	2.2740	2.2869	2.1332	2.1298	2.1298
C2	1.5401		1.5422	2.8805	1.0845	1.0845	2.4992	3.6663	3.2604	3.2604
C3	1.2996	1.5422		2.6961	2.2768	2.2768	1.0701	3.0297	3.3342	3.3342
C4	1.4869	2.8805	2.6961		3.4551	3.4551	3.5223	1.0926	1.0944	1.0944
H5	2.2740	1.0845	2.2768	3.4551		1.8304	3.1126	4.2825	3.9464	3.5124
H6	2.2740	1.0845	2.2768	3.4551	1.8304		3.1126	4.2825	3.5124	3.9464
H7	2.2869	2.4992	1.0701	3.5223	3.1126	3.1126		3.5830	4.1984	4.1984
H8	2.1332	3.6663	3.0297	1.0926	4.2825	4.2825	3.5830		1.7791	1.7791
H9	2.1298	3.2604	3.3342	1.0944	3.9464	3.5124	4.1984	1.7791		1.7688
H10	2.1298	3.2604	3.3342	1.0944	3.5124	3.9464	4.1984	1.7791	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	49.875	H1	C2	C6	119.068
C2	C3	C6	24.582	C2	C3	C10	73.824
C2	C6	C3	36.270	C2	C6	H4	50.004
C2	C6	H5	32.444	C3	C2	C6	119.148
C3	C6	H4	51.228	C3	C6	H5	66.299
C3	C10	H7	9.676	C3	C10	H8	64.524
C3	C10	H9	74.618	H4	C6	H5	74.640
C6	C3	C10	87.257	H7	C10	H8	57.829
H7	C10	H9	77.839	H8	C10	H9	60.190

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

using model chemistry: CISD/3-21G*

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/3-21G*

States and conformations

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