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	hartrees
Energy at 0K	-155.645941
Energy at 298.15K
HF Energy	-154.922923
Nuclear repulsion energy	108.755021

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'	3331	3162	0.72	116.15	0.30	0.46
2	A'	3175	3014	11.09	74.28	0.72	0.84
3	A'	3112	2955	60.59	144.35	0.13	0.23
4	A'	3086	2930	18.27	198.80	0.01	0.02
5	A'	1854	1760	10.57	32.82	0.16	0.28
6	A'	1547	1469	4.78	11.02	0.36	0.53
7	A'	1509	1432	9.23	11.16	0.62	0.77
8	A'	1413	1341	0.21	4.26	0.62	0.77
9	A'	1213	1152	3.19	7.12	0.37	0.54
10	A'	1099	1043	1.99	3.64	0.12	0.21
11	A'	1072	1018	33.66	1.35	0.29	0.45
12	A'	999	949	6.16	7.78	0.26	0.41
13	A'	955	907	14.44	4.63	0.43	0.60
14	A'	689	654	0.57	13.18	0.59	0.74
15	A'	325	308	1.66	1.50	0.75	0.85
16	A"	3176	3016	35.28	88.64	0.75	0.86
17	A"	3150	2991	10.26	72.44	0.75	0.86
18	A"	1506	1429	8.32	7.34	0.75	0.86
19	A"	1135	1078	1.26	1.26	0.75	0.86
20	A"	1059	1006	0.12	2.39	0.75	0.86
21	A"	1005	955	2.54	3.17	0.75	0.86
22	A"	733	695	29.38	0.54	0.75	0.86
23	A"	293	278	11.90	0.53	0.75	0.86
24	A"	165	157	0.34	0.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.179	0.000
C2	-0.047	-1.321	0.000
C3	1.152	-0.412	0.000
C4	-0.837	1.384	0.000
H5	-0.316	-1.843	0.909
H6	-0.316	-1.843	-0.909
H7	2.220	-0.368	0.000
H8	-0.233	2.285	0.000
H9	-1.482	1.393	-0.875
H10	-1.482	1.393	0.875

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5014	1.2947	1.4672	2.2401	2.2401	2.2863	2.1183	2.1060	2.1060
C2	1.5014		1.5047	2.8188	1.0824	1.0824	2.4588	3.6110	3.1929	3.1929
C3	1.2947	1.5047		2.6799	2.2427	2.2427	1.0688	3.0312	3.3107	3.3107
C4	1.4672	2.8188	2.6799		3.3937	3.3937	3.5236	1.0846	1.0868	1.0868
H5	2.2401	1.0824	2.2427	3.3937		1.8186	3.0710	4.2280	3.8755	3.4406
H6	2.2401	1.0824	2.2427	3.3937	1.8186		3.0710	4.2280	3.4406	3.8755
H7	2.2863	2.4588	1.0688	3.5236	3.0710	3.0710		3.6129	4.1918	4.1918
H8	2.1183	3.6110	3.0312	1.0846	4.2280	4.2280	3.6129		1.7666	1.7666
H9	2.1060	3.1929	3.3107	1.0868	3.8755	3.4406	4.1918	1.7666		1.7493
H10	2.1060	3.1929	3.3107	1.0868	3.4406	3.8755	4.1918	1.7666	1.7493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	51.022	H1	C2	C6	119.327
C2	C3	C6	24.891	C2	C3	C10	72.292
C2	C6	C3	35.809	C2	C6	H4	49.787
C2	C6	H5	32.853	C3	C2	C6	119.300
C3	C6	H4	52.033	C3	C6	H5	66.081
C3	C10	H7	9.315	C3	C10	H8	65.271
C3	C10	H9	74.681	H4	C6	H5	74.458
C6	C3	C10	86.250	H7	C10	H8	58.948
H7	C10	H9	77.956	H8	C10	H9	60.322

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

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

States and conformations

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