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	hartrees
Energy at 0K	-155.459361
Energy at 298.15K
HF Energy	-154.882487
Nuclear repulsion energy	107.254305

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	3213	0.34	132.44	0.27	0.43
2	A'	3169	3071	13.49	73.71	0.73	0.84
3	A'	3089	2994	65.61	157.91	0.11	0.21
4	A'	3063	2968	23.11	237.53	0.01	0.02
5	A'	1823	1767	11.53	42.10	0.09	0.17
6	A'	1515	1468	4.87	7.82	0.40	0.57
7	A'	1475	1430	9.05	9.39	0.51	0.68
8	A'	1388	1345	0.03	3.30	0.64	0.78
9	A'	1192	1155	3.43	9.61	0.32	0.49
10	A'	1073	1040	2.19	7.28	0.07	0.13
11	A'	1044	1012	28.63	3.22	0.26	0.41
12	A'	984	954	7.20	9.39	0.11	0.19
13	A'	933	904	12.85	4.17	0.38	0.55
14	A'	670	649	0.58	14.16	0.59	0.74
15	A'	318	308	1.57	1.68	0.75	0.86
16	A"	3172	3074	37.43	104.67	0.75	0.86
17	A"	3147	3050	12.24	73.69	0.75	0.86
18	A"	1471	1425	7.92	5.31	0.75	0.86
19	A"	1102	1068	1.39	0.41	0.75	0.86
20	A"	1032	1000	0.01	1.21	0.75	0.86
21	A"	987	957	2.10	0.78	0.75	0.86
22	A"	673	652	32.96	1.06	0.75	0.86
23	A"	269	261	13.27	0.24	0.75	0.86
24	A"	166	161	0.41	0.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.183	0.000
C2	-0.072	-1.337	0.000
C3	1.161	-0.439	0.000
C4	-0.823	1.418	0.000
H5	-0.354	-1.863	0.922
H6	-0.354	-1.863	-0.922
H7	2.247	-0.414	0.000
H8	-0.189	2.316	0.000
H9	-1.474	1.439	-0.888
H10	-1.474	1.439	0.888

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5219	1.3173	1.4838	2.2715	2.2715	2.3248	2.1416	2.1306	2.1306
C2	1.5219		1.5262	2.8554	1.0981	1.0981	2.4962	3.6553	3.2345	3.2345
C3	1.3173	1.5262		2.7172	2.2747	2.2747	1.0857	3.0681	3.3558	3.3558
C4	1.4838	2.8554	2.7172		3.4394	3.4394	3.5745	1.0996	1.1013	1.1013
H5	2.2715	1.0981	2.2747	3.4394		1.8445	3.1167	4.2824	3.9282	3.4866
H6	2.2715	1.0981	2.2747	3.4394	1.8445		3.1167	4.2824	3.4866	3.9282
H7	2.3248	2.4962	1.0857	3.5745	3.1167	3.1167		3.6587	4.2508	4.2508
H8	2.1416	3.6553	3.0681	1.0996	4.2824	4.2824	3.6587		1.7915	1.7915
H9	2.1306	3.2345	3.3558	1.1013	3.9282	3.4866	4.2508	1.7915		1.7751
H10	2.1306	3.2345	3.3558	1.1013	3.4866	3.9282	4.2508	1.7915	1.7751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	51.212	H1	C2	C6	119.335
C2	C3	C6	24.903	C2	C3	C10	72.214
C2	C6	C3	35.820	C2	C6	H4	49.732
C2	C6	H5	32.873	C3	C2	C6	119.277
C3	C6	H4	52.060	C3	C6	H5	66.081
C3	C10	H7	9.336	C3	C10	H8	65.125
C3	C10	H9	74.664	H4	C6	H5	74.446
C6	C3	C10	86.226	H7	C10	H8	58.790
H7	C10	H9	77.948	H8	C10	H9	60.302

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

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

States and conformations

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