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	hartrees
Energy at 0K	-155.583469
Energy at 298.15K
HF Energy	-154.922375
Nuclear repulsion energy	108.306524

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'	3315	3148	0.55	119.26	0.31	0.47
2	A'	3171	3011	11.34	74.99	0.73	0.84
3	A'	3095	2938	61.31	145.70	0.13	0.23
4	A'	3071	2916	18.68	202.14	0.01	0.02
5	A'	1834	1741	10.41	31.86	0.16	0.28
6	A'	1537	1460	5.00	11.18	0.36	0.53
7	A'	1499	1423	8.97	11.34	0.62	0.77
8	A'	1408	1337	0.10	4.19	0.63	0.77
9	A'	1203	1143	3.14	7.05	0.36	0.53
10	A'	1091	1036	2.35	3.83	0.12	0.21
11	A'	1064	1010	33.46	1.05	0.30	0.46
12	A'	992	942	5.50	8.33	0.25	0.40
13	A'	950	902	13.71	5.01	0.43	0.60
14	A'	683	648	0.49	13.59	0.58	0.73
15	A'	321	305	1.65	1.55	0.74	0.85
16	A"	3172	3012	35.98	90.13	0.75	0.86
17	A"	3147	2989	10.83	73.24	0.75	0.86
18	A"	1495	1420	8.06	7.46	0.75	0.86
19	A"	1128	1071	1.26	1.33	0.75	0.86
20	A"	1053	1000	0.10	2.21	0.75	0.86
21	A"	1001	950	2.38	3.48	0.75	0.86
22	A"	719	683	29.32	0.54	0.75	0.86
23	A"	290	276	12.02	0.55	0.75	0.86
24	A"	163	154	0.34	0.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.180	0.000
C2	-0.052	-1.327	0.000
C3	1.154	-0.419	0.000
C4	-0.834	1.395	0.000
H5	-0.325	-1.851	0.912
H6	-0.325	-1.851	-0.912
H7	2.227	-0.380	0.000
H8	-0.222	2.295	0.000
H9	-1.481	1.408	-0.877
H10	-1.481	1.408	0.877

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5084	1.3004	1.4737	2.2498	2.2498	2.2964	2.1263	2.1142	2.1142
C2	1.5084		1.5100	2.8325	1.0864	1.0864	2.4682	3.6261	3.2081	3.2081
C3	1.3004	1.5100		2.6915	2.2514	2.2514	1.0736	3.0430	3.3241	3.3241
C4	1.4737	2.8325	2.6915		3.4097	3.4097	3.5386	1.0879	1.0900	1.0900
H5	2.2498	1.0864	2.2514	3.4097		1.8244	3.0832	4.2458	3.8932	3.4577
H6	2.2498	1.0864	2.2514	3.4097	1.8244		3.0832	4.2458	3.4577	3.8932
H7	2.2964	2.4682	1.0736	3.5386	3.0832	3.0832		3.6270	4.2088	4.2088
H8	2.1263	3.6261	3.0430	1.0879	4.2458	4.2458	3.6270		1.7719	1.7719
H9	2.1142	3.2081	3.3241	1.0900	3.8932	3.4577	4.2088	1.7719		1.7548
H10	2.1142	3.2081	3.3241	1.0900	3.4577	3.8932	4.2088	1.7719	1.7548

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	51.039	H1	C2	C6	119.346
C2	C3	C6	24.873	C2	C3	C10	72.384
C2	C6	C3	35.776	C2	C6	H4	49.783
C2	C6	H5	32.896	C3	C2	C6	119.352
C3	C6	H4	52.007	C3	C6	H5	66.098
C3	C10	H7	9.328	C3	C10	H8	65.262
C3	C10	H9	74.695	H4	C6	H5	74.483
C6	C3	C10	86.316	H7	C10	H8	58.925
H7	C10	H9	77.967	H8	C10	H9	60.318

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

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

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