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	hartrees
Energy at 0K	-155.447576
Energy at 298.15K
HF Energy	-154.882214
Nuclear repulsion energy	107.138357

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'	3307	3172	0.30	133.46	0.27	0.43
2	A'	3163	3034	13.71	73.99	0.73	0.84
3	A'	3084	2958	65.79	158.18	0.11	0.21
4	A'	3058	2933	23.34	238.08	0.01	0.02
5	A'	1819	1744	11.55	41.80	0.09	0.17
6	A'	1514	1452	4.94	7.88	0.40	0.57
7	A'	1473	1413	8.96	9.44	0.51	0.68
8	A'	1387	1330	0.03	3.29	0.64	0.78
9	A'	1189	1141	3.39	9.63	0.32	0.49
10	A'	1071	1028	2.39	7.28	0.07	0.13
11	A'	1041	998	28.58	3.06	0.26	0.41
12	A'	982	942	6.95	9.62	0.11	0.19
13	A'	932	894	12.75	4.34	0.37	0.54
14	A'	667	640	0.56	14.24	0.59	0.74
15	A'	317	304	1.57	1.70	0.75	0.86
16	A"	3167	3037	37.67	105.01	0.75	0.86
17	A"	3141	3013	12.39	73.82	0.75	0.86
18	A"	1469	1409	7.82	5.35	0.75	0.86
19	A"	1101	1056	1.41	0.41	0.75	0.86
20	A"	1031	989	0.01	1.15	0.75	0.86
21	A"	985	945	2.07	0.84	0.75	0.86
22	A"	669	642	32.89	1.05	0.75	0.86
23	A"	269	258	13.41	0.24	0.75	0.86
24	A"	165	159	0.37	0.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.183	0.000
C2	-0.075	-1.339	0.000
C3	1.162	-0.441	0.000
C4	-0.821	1.421	0.000
H5	-0.357	-1.864	0.923
H6	-0.357	-1.864	-0.923
H7	2.248	-0.416	0.000
H8	-0.184	2.318	0.000
H9	-1.473	1.444	-0.888
H10	-1.473	1.444	0.888

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5238	1.3185	1.4856	2.2738	2.2738	2.3266	2.1437	2.1330	2.1330
C2	1.5238		1.5279	2.8593	1.0990	1.0990	2.4993	3.6594	3.2390	3.2390
C3	1.3185	1.5279		2.7199	2.2768	2.2768	1.0868	3.0703	3.3592	3.3592
C4	1.4856	2.8593	2.7199		3.4439	3.4439	3.5770	1.1005	1.1023	1.1023
H5	2.2738	1.0990	2.2768	3.4439		1.8465	3.1201	4.2870	3.9335	3.4916
H6	2.2738	1.0990	2.2768	3.4439	1.8465		3.1201	4.2870	3.4916	3.9335
H7	2.3266	2.4993	1.0868	3.5770	3.1201	3.1201		3.6600	4.2541	4.2541
H8	2.1437	3.6594	3.0703	1.1005	4.2870	4.2870	3.6600		1.7932	1.7932
H9	2.1330	3.2390	3.3592	1.1023	3.9335	3.4916	4.2541	1.7932		1.7767
H10	2.1330	3.2390	3.3592	1.1023	3.4916	3.9335	4.2541	1.7932	1.7767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	51.196	H1	C2	C6	119.326
C2	C3	C6	24.906	C2	C3	C10	72.260
C2	C6	C3	35.838	C2	C6	H4	49.734
C2	C6	H5	32.853	C3	C2	C6	119.256
C3	C6	H4	52.040	C3	C6	H5	66.077
C3	C10	H7	9.357	C3	C10	H8	65.097
C3	C10	H9	74.666	H4	C6	H5	74.450
C6	C3	C10	86.267	H7	C10	H8	58.739
H7	C10	H9	77.947	H8	C10	H9	60.303

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

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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