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	hartrees
Energy at 0K	-154.829489
Energy at 298.15K
HF Energy	-154.704909
Nuclear repulsion energy	107.396016

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'	3337	3177	0.10	92.83	0.29	0.45
2	A'	3145	2994	13.83	76.94	0.73	0.84
3	A'	3121	2971	42.26	104.59	0.14	0.25
4	A'	3067	2919	17.01	138.75	0.01	0.02
5	A'	1820	1732	8.64	28.18	0.21	0.34
6	A'	1583	1507	5.16	15.07	0.44	0.61
7	A'	1571	1496	9.63	29.38	0.71	0.83
8	A'	1481	1410	1.20	19.88	0.56	0.72
9	A'	1196	1139	6.09	1.82	0.32	0.49
10	A'	1118	1064	3.44	1.28	0.28	0.43
11	A'	1086	1034	54.55	0.86	0.59	0.74
12	A'	973	926	2.21	8.55	0.72	0.84
13	A'	934	889	6.35	12.50	0.37	0.53
14	A'	629	599	0.11	15.10	0.62	0.76
15	A'	327	311	1.95	1.75	0.71	0.83
16	A"	3200	3046	42.09	75.06	0.75	0.86
17	A"	3119	2969	11.87	79.85	0.75	0.86
18	A"	1568	1493	8.56	22.67	0.75	0.86
19	A"	1147	1092	0.01	2.29	0.75	0.86
20	A"	1092	1040	3.47	4.69	0.75	0.86
21	A"	1028	978	2.76	15.49	0.75	0.86
22	A"	765	729	39.49	1.25	0.75	0.86
23	A"	304	290	14.51	1.59	0.75	0.86
24	A"	144	137	0.42	0.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.181	0.000
C2	-0.092	-1.355	0.000
C3	1.147	-0.441	0.000
C4	-0.796	1.430	0.000
H5	-0.371	-1.866	0.917
H6	-0.371	-1.866	-0.917
H7	2.217	-0.405	0.000
H8	-0.146	2.308	0.000
H9	-1.443	1.469	-0.883
H10	-1.443	1.469	0.883

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5387	1.3047	1.4808	2.2733	2.2733	2.2933	2.1325	2.1260	2.1260
C2	1.5387		1.5397	2.8723	1.0861	1.0861	2.4968	3.6638	3.2525	3.2525
C3	1.3047	1.5397		2.6969	2.2755	2.2755	1.0707	3.0379	3.3366	3.3366
C4	1.4808	2.8723	2.6969		3.4469	3.4469	3.5277	1.0931	1.0954	1.0954
H5	2.2733	1.0861	2.2755	3.4469		1.8332	3.1107	4.2798	3.9379	3.5027
H6	2.2733	1.0861	2.2755	3.4469	1.8332		3.1107	4.2798	3.5027	3.9379
H7	2.2933	2.4968	1.0707	3.5277	3.1107	3.1107		3.5980	4.2055	4.2055
H8	2.1325	3.6638	3.0379	1.0931	4.2798	4.2798	3.5980		1.7797	1.7797
H9	2.1260	3.2525	3.3366	1.0954	3.9379	3.5027	4.2055	1.7797		1.7663
H10	2.1260	3.2525	3.3366	1.0954	3.5027	3.9379	4.2055	1.7797	1.7663

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.152	H1	C2	C6	119.010
C2	C3	C6	24.643	C2	C3	C10	73.460
C2	C6	C3	36.237	C2	C6	H4	50.020
C2	C6	H5	32.436	C3	C2	C6	119.120
C3	C6	H4	51.404	C3	C6	H5	66.245
C3	C10	H7	9.582	C3	C10	H8	64.720
C3	C10	H9	74.652	H4	C6	H5	74.578
C6	C3	C10	86.965	H7	C10	H8	58.111
H7	C10	H9	77.878	H8	C10	H9	60.249

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/3-21G

States and conformations

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