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	hartrees
Energy at 0K	-155.449863
Energy at 298.15K
HF Energy	-154.877220
Nuclear repulsion energy	108.317028

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'	3368	3147	0.02	107.51	0.29	0.44
2	A'	3233	3021	13.94	72.23	0.74	0.85
3	A'	3143	2937	61.18	120.07	0.13	0.23
4	A'	3125	2920	20.88	139.18	0.01	0.01
5	A'	1876	1753	8.44	20.69	0.19	0.32
6	A'	1593	1489	9.84	15.00	0.41	0.58
7	A'	1546	1445	6.86	20.32	0.71	0.83
8	A'	1455	1360	0.19	10.78	0.65	0.79
9	A'	1245	1164	1.41	3.89	0.33	0.50
10	A'	1129	1055	5.99	1.64	0.20	0.33
11	A'	1110	1037	31.02	0.11	0.26	0.42
12	A'	1012	946	3.80	9.07	0.43	0.60
13	A'	978	914	10.79	8.54	0.59	0.74
14	A'	699	653	0.14	14.37	0.59	0.74
15	A'	331	310	1.33	1.30	0.73	0.84
16	A"	3221	3009	47.07	78.59	0.75	0.86
17	A"	3212	3001	17.47	74.60	0.75	0.86
18	A"	1540	1439	6.33	16.94	0.75	0.86
19	A"	1159	1083	1.36	2.47	0.75	0.86
20	A"	1076	1005	0.22	3.90	0.75	0.86
21	A"	1026	959	2.20	11.78	0.75	0.86
22	A"	703	657	27.07	1.03	0.75	0.86
23	A"	290	271	10.27	1.11	0.75	0.86
24	A"	155	145	0.52	0.33	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.179	0.000
C2	-0.057	-1.324	0.000
C3	1.153	-0.429	0.000
C4	-0.828	1.400	0.000
H5	-0.337	-1.851	0.909
H6	-0.337	-1.851	-0.909
H7	2.226	-0.392	0.000
H8	-0.209	2.295	0.000
H9	-1.473	1.420	-0.877
H10	-1.473	1.420	0.877

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5048	1.3031	1.4752	2.2502	2.2502	2.2978	2.1257	2.1166	2.1166
C2	1.5048		1.5051	2.8316	1.0872	1.0872	2.4655	3.6223	3.2106	3.2106
C3	1.3031	1.5051		2.6959	2.2514	2.2514	1.0736	3.0450	3.3291	3.3291
C4	1.4752	2.8316	2.6959		3.4119	3.4119	3.5409	1.0875	1.0893	1.0893
H5	2.2502	1.0872	2.2514	3.4119		1.8174	3.0856	4.2465	3.8968	3.4635
H6	2.2502	1.0872	2.2514	3.4119	1.8174		3.0856	4.2465	3.4635	3.8968
H7	2.2978	2.4655	1.0736	3.5409	3.0856	3.0856		3.6263	4.2114	4.2114
H8	2.1257	3.6223	3.0450	1.0875	4.2465	4.2465	3.6263		1.7697	1.7697
H9	2.1166	3.2106	3.3291	1.0893	3.8968	3.4635	4.2114	1.7697		1.7549
H10	2.1166	3.2106	3.3291	1.0893	3.4635	3.8968	4.2114	1.7697	1.7549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	51.307	H1	C2	C6	119.621
C2	C3	C6	24.800	C2	C3	C10	72.339
C2	C6	C3	35.501	C2	C6	H4	49.635
C2	C6	H5	33.297	C3	C2	C6	119.699
C3	C6	H4	52.079	C3	C6	H5	66.196
C3	C10	H7	9.369	C3	C10	H8	65.200
C3	C10	H9	74.718	H4	C6	H5	74.554
C6	C3	C10	86.303	H7	C10	H8	58.818
H7	C10	H9	77.974	H8	C10	H9	60.275

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

using model chemistry: MP2=FULL/6-31G**

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/6-31G**

States and conformations

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