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	hartrees
Energy at 0K	-155.617063
Energy at 298.15K	-155.611351
HF Energy	-154.865907
Nuclear repulsion energy	108.672406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3461	3461	0.01	92.62	0.30	0.46
2	A'	3275	3275	26.71	87.10	0.74	0.85
3	A'	3190	3190	24.00	231.37	0.01	0.02
4	A'	3188	3188	105.88	47.93	0.55	0.71
5	A'	2020	2020	15.00	55.26	0.22	0.36
6	A'	1661	1661	9.82	13.29	0.40	0.57
7	A'	1618	1618	6.68	20.50	0.71	0.83
8	A'	1541	1541	0.86	7.93	0.69	0.82
9	A'	1301	1301	3.36	5.49	0.49	0.66
10	A'	1199	1199	19.42	3.17	0.17	0.29
11	A'	1180	1180	23.63	0.15	0.62	0.76
12	A'	1057	1057	4.06	11.28	0.47	0.64
13	A'	1032	1032	17.21	10.74	0.47	0.64
14	A'	736	736	0.19	17.43	0.54	0.70
15	A'	346	346	1.37	1.17	0.71	0.83
16	A"	3253	3253	18.11	87.08	0.75	0.86
17	A"	3243	3243	85.92	98.06	0.75	0.86
18	A"	1615	1615	6.21	16.52	0.75	0.86
19	A"	1218	1218	2.32	2.01	0.75	0.86
20	A"	1151	1151	1.29	4.92	0.75	0.86
21	A"	1072	1072	1.46	11.56	0.75	0.86
22	A"	834	834	34.50	1.39	0.75	0.86
23	A"	333	333	9.95	1.85	0.75	0.86
24	A"	163	163	0.28	0.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.172	0.000
C2	-0.006	-1.327	0.000
C3	1.155	-0.380	0.000
C4	-0.875	1.371	0.000
H5	-0.268	-1.869	0.905
H6	-0.268	-1.869	-0.905
H7	2.223	-0.303	0.000
H8	-0.290	2.286	0.000
H9	-1.520	1.369	-0.877
H10	-1.520	1.369	0.877

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4994	1.2805	1.4843	2.2493	2.2493	2.2734	2.1337	2.1237	2.1237
C2	1.4994		1.4982	2.8347	1.0871	1.0871	2.4532	3.6244	3.2137	3.2137
C3	1.2805	1.4982		2.6813	2.2499	2.2499	1.0709	3.0327	3.3140	3.3140
C4	1.4843	2.8347	2.6813		3.4188	3.4188	3.5217	1.0864	1.0882	1.0882
H5	2.2493	1.0871	2.2499	3.4188		1.8101	3.0788	4.2530	3.9022	3.4717
H6	2.2493	1.0871	2.2499	3.4188	1.8101		3.0788	4.2530	3.4717	3.9022
H7	2.2734	2.4532	1.0709	3.5217	3.0788	3.0788		3.6081	4.1920	4.1920
H8	2.1337	3.6244	3.0327	1.0864	4.2530	4.2530	3.6081		1.7673	1.7673
H9	2.1237	3.2137	3.3140	1.0882	3.9022	3.4717	4.1920	1.7673		1.7535
H10	2.1237	3.2137	3.3140	1.0882	3.4717	3.9022	4.1920	1.7673	1.7535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.576	H1	C2	C6	119.983
C2	C3	C6	24.702	C2	C3	C10	73.021
C2	C6	C3	35.163	C2	C6	H4	49.432
C2	C6	H5	33.641	C3	C2	C6	120.135
C3	C6	H4	51.577	C3	C6	H5	66.279
C3	C10	H7	9.436	C3	C10	H8	65.225
C3	C10	H9	74.659	H4	C6	H5	74.649
C6	C3	C10	86.856	H7	C10	H8	58.789
H7	C10	H9	77.927	H8	C10	H9	60.258

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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