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	hartrees
Energy at 0K	-155.667671
Energy at 298.15K
HF Energy	-154.923976
Nuclear repulsion energy	108.702016

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	3146	0.92	124.73	0.26	0.41
2	A'	3164	3010	10.51	71.92	0.71	0.83
3	A'	3104	2953	60.54	158.38	0.11	0.19
4	A'	3076	2926	19.33	229.77	0.01	0.02
5	A'	1851	1762	11.91	44.25	0.09	0.17
6	A'	1544	1469	3.83	7.83	0.37	0.54
7	A'	1510	1436	9.85	9.03	0.51	0.67
8	A'	1413	1345	0.20	3.44	0.59	0.74
9	A'	1210	1151	3.73	9.06	0.32	0.48
10	A'	1095	1042	1.17	4.60	0.06	0.11
11	A'	1058	1006	30.95	4.71	0.22	0.36
12	A'	998	949	7.40	8.52	0.11	0.20
13	A'	956	909	14.78	3.64	0.41	0.58
14	A'	685	652	0.53	12.79	0.58	0.74
15	A'	324	308	1.66	1.61	0.75	0.86
16	A"	3164	3011	31.86	97.37	0.75	0.86
17	A"	3142	2989	9.70	71.14	0.75	0.86
18	A"	1509	1435	8.58	5.05	0.75	0.86
19	A"	1128	1073	1.26	0.41	0.75	0.86
20	A"	1059	1008	0.07	1.21	0.75	0.86
21	A"	1006	957	2.51	0.65	0.75	0.86
22	A"	743	707	31.78	0.96	0.75	0.86
23	A"	284	270	12.40	0.21	0.75	0.86
24	A"	166	158	0.39	0.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.179	0.000
C2	-0.038	-1.321	0.000
C3	1.157	-0.402	0.000
C4	-0.848	1.377	0.000
H5	-0.304	-1.844	0.911
H6	-0.304	-1.844	-0.911
H7	2.226	-0.354	0.000
H8	-0.252	2.285	0.000
H9	-1.494	1.379	-0.876
H10	-1.494	1.379	0.876

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5010	1.2947	1.4675	2.2398	2.2398	2.2893	2.1206	2.1068	2.1068
C2	1.5010		1.5071	2.8170	1.0835	1.0835	2.4623	3.6124	3.1903	3.1903
C3	1.2947	1.5071		2.6806	2.2453	2.2453	1.0707	3.0342	3.3116	3.3116
C4	1.4675	2.8170	2.6806		3.3913	3.3913	3.5282	1.0864	1.0884	1.0884
H5	2.2398	1.0835	2.2453	3.3913		1.8219	3.0745	4.2287	3.8729	3.4360
H6	2.2398	1.0835	2.2453	3.3913	1.8219		3.0745	4.2287	3.4360	3.8729
H7	2.2893	2.4623	1.0707	3.5282	3.0745	3.0745		3.6201	4.1964	4.1964
H8	2.1206	3.6124	3.0342	1.0864	4.2287	4.2287	3.6201		1.7693	1.7693
H9	2.1068	3.1903	3.3116	1.0884	3.8729	3.4360	4.1964	1.7693		1.7527
H10	2.1068	3.1903	3.3116	1.0884	3.4360	3.8729	4.1964	1.7693	1.7527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.988	H1	C2	C6	119.261
C2	C3	C6	24.899	C2	C3	C10	72.149
C2	C6	C3	35.844	C2	C6	H4	49.840
C2	C6	H5	32.785	C3	C2	C6	119.257
C3	C6	H4	52.092	C3	C6	H5	66.065
C3	C10	H7	9.277	C3	C10	H8	65.333
C3	C10	H9	74.655	H4	C6	H5	74.418
C6	C3	C10	86.111	H7	C10	H8	59.058
H7	C10	H9	77.946	H8	C10	H9	60.310

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

using model chemistry: MP2=FULL/aug-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=FULL/aug-cc-pVTZ

States and conformations

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