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	hartrees
Energy at 0K	-154.351339
Energy at 298.15K
HF Energy	-153.987605
Nuclear repulsion energy	106.834216

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'	3330	3167	0.04	94.24	0.28	0.44
2	A'	3156	3002	12.24	69.82	0.74	0.85
3	A'	3149	2996	34.28	95.67	0.14	0.24
4	A'	3076	2926	14.96	119.44	0.00	0.01
5	A'	1784	1697	8.04	10.31	0.19	0.32
6	A'	1601	1523	5.55	14.42	0.47	0.64
7	A'	1590	1513	8.15	27.26	0.72	0.84
8	A'	1491	1418	0.78	15.15	0.59	0.74
9	A'	1205	1146	6.05	1.17	0.24	0.38
10	A'	1131	1076	1.31	1.12	0.18	0.30
11	A'	1099	1046	52.47	0.77	0.66	0.79
12	A'	972	925	2.37	7.88	0.75	0.86
13	A'	920	875	3.92	12.44	0.30	0.47
14	A'	614	584	0.04	14.11	0.63	0.77
15	A'	333	317	1.74	2.06	0.70	0.82
16	A"	3236	3078	36.87	68.10	0.75	0.86
17	A"	3138	2985	11.68	69.91	0.75	0.86
18	A"	1584	1507	7.41	22.55	0.75	0.86
19	A"	1153	1096	0.17	1.97	0.75	0.86
20	A"	1095	1042	2.15	3.68	0.75	0.86
21	A"	1038	988	2.28	16.71	0.75	0.86
22	A"	729	694	38.67	1.00	0.75	0.86
23	A"	294	279	14.44	1.30	0.75	0.86
24	A"	137	131	0.41	0.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.180	0.000
C2	-0.129	-1.364	0.000
C3	1.142	-0.469	0.000
C4	-0.762	1.459	0.000
H5	-0.416	-1.867	0.919
H6	-0.416	-1.867	-0.919
H7	2.215	-0.451	0.000
H8	-0.078	2.313	0.000
H9	-1.405	1.520	-0.886
H10	-1.405	1.520	0.886

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5497	1.3134	1.4883	2.2822	2.2822	2.3031	2.1347	2.1343	2.1343
C2	1.5497		1.5538	2.8929	1.0861	1.0861	2.5153	3.6780	3.2762	3.2762
C3	1.3134	1.5538		2.7093	2.2856	2.2856	1.0736	3.0380	3.3509	3.3509
C4	1.4883	2.8929	2.7093		3.4675	3.4675	3.5368	1.0953	1.0967	1.0967
H5	2.2822	1.0861	2.2856	3.4675		1.8375	3.1260	4.2937	3.9634	3.5287
H6	2.2822	1.0861	2.2856	3.4675	1.8375		3.1260	4.2937	3.5287	3.9634
H7	2.3031	2.5153	1.0736	3.5368	3.1260	3.1260		3.5913	4.2161	4.2161
H8	2.1347	3.6780	3.0380	1.0953	4.2937	4.2937	3.5913		1.7827	1.7827
H9	2.1343	3.2762	3.3509	1.0967	3.9634	3.5287	4.2161	1.7827		1.7726
H10	2.1343	3.2762	3.3509	1.0967	3.5287	3.9634	4.2161	1.7827	1.7726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.072	H1	C2	C6	118.908
C2	C3	C6	24.587	C2	C3	C10	73.777
C2	C6	C3	36.531	C2	C6	H4	50.073
C2	C6	H5	32.230	C3	C2	C6	118.882
C3	C6	H4	51.316	C3	C6	H5	66.299
C3	C10	H7	9.701	C3	C10	H8	64.323
C3	C10	H9	74.663	H4	C6	H5	74.636
C6	C3	C10	87.217	H7	C10	H8	57.592
H7	C10	H9	77.865	H8	C10	H9	60.186

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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