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	hartrees
Energy at 0K	-155.468697
Energy at 298.15K
HF Energy	-154.877175
Nuclear repulsion energy	108.046216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3352	3156	0.04
2	A'	3197	3010	19.43
3	A'	3119	2936	65.65
4	A'	3103	2921	26.48
5	A'	1892	1781	10.61
6	A'	1589	1496	9.46
7	A'	1544	1454	5.74
8	A'	1460	1375	0.53
9	A'	1245	1172	1.85
10	A'	1133	1067	11.75
11	A'	1117	1051	24.49
12	A'	1009	950	3.64
13	A'	977	920	10.51
14	A'	697	656	0.18
15	A'	331	311	1.19
16	A"	3185	2998	55.50
17	A"	3177	2990	21.62
18	A"	1538	1448	5.37
19	A"	1154	1086	2.14
20	A"	1076	1013	0.18
21	A"	1023	963	1.53
22	A"	704	662	28.77
23	A"	290	273	9.61
24	A"	149	141	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.178	0.000
C2	-0.049	-1.331	0.000
C3	1.156	-0.421	0.000
C4	-0.839	1.401	0.000
H5	-0.326	-1.862	0.909
H6	-0.326	-1.862	-0.909
H7	2.230	-0.374	0.000
H8	-0.222	2.299	0.000
H9	-1.484	1.418	-0.880
H10	-1.484	1.418	0.880

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5090	1.3017	1.4831	2.2571	2.2571	2.2972	2.1331	2.1248	2.1248
C2	1.5090		1.5098	2.8434	1.0894	1.0894	2.4711	3.6339	3.2230	3.2230
C3	1.3017	1.5098		2.7013	2.2590	2.2590	1.0748	3.0489	3.3353	3.3353
C4	1.4831	2.8434	2.7013		3.4259	3.4259	3.5450	1.0898	1.0915	1.0915
H5	2.2571	1.0894	2.2590	3.4259		1.8188	3.0945	4.2609	3.9116	3.4783
H6	2.2571	1.0894	2.2590	3.4259	1.8188		3.0945	4.2609	3.4783	3.9116
H7	2.2972	2.4711	1.0748	3.5450	3.0945	3.0945		3.6273	4.2165	4.2165
H8	2.1331	3.6339	3.0489	1.0898	4.2609	4.2609	3.6273		1.7735	1.7735
H9	2.1248	3.2230	3.3353	1.0915	3.9116	3.4783	4.2165	1.7735		1.7603
H10	2.1248	3.2230	3.3353	1.0915	3.4783	3.9116	4.2165	1.7735	1.7603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	51.089	H1	C2	C6	119.735
C2	C3	C6	24.728	C2	C3	C10	72.576
C2	C6	C3	35.432	C2	C6	H4	49.588
C2	C6	H5	33.409	C3	C2	C6	119.840
C3	C6	H4	51.935	C3	C6	H5	66.261
C3	C10	H7	9.413	C3	C10	H8	65.138
C3	C10	H9	74.699	H4	C6	H5	74.607
C6	C3	C10	86.473	H7	C10	H8	58.714
H7	C10	H9	77.952	H8	C10	H9	60.245

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

using model chemistry: QCISD/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: QCISD/6-31G**

States and conformations

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