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	hartrees
Energy at 0K	-155.633849
Energy at 298.15K
HF Energy	-154.932543
Nuclear repulsion energy	108.489569

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	3144	0.69	121.97	0.28	0.43
2	A'	3175	3011	10.53	72.37	0.72	0.84
3	A'	3096	2936	60.31	148.88	0.12	0.22
4	A'	3072	2914	18.01	220.61	0.01	0.02
5	A'	1837	1742	11.09	36.67	0.13	0.23
6	A'	1534	1455	4.25	9.85	0.36	0.53
7	A'	1497	1420	9.50	9.79	0.58	0.73
8	A'	1408	1335	0.16	3.55	0.59	0.74
9	A'	1202	1140	3.54	7.85	0.33	0.50
10	A'	1089	1033	2.04	5.08	0.08	0.15
11	A'	1059	1004	31.86	1.72	0.29	0.45
12	A'	991	940	6.29	8.41	0.18	0.31
13	A'	948	899	14.21	4.44	0.40	0.58
14	A'	683	647	0.56	13.30	0.57	0.73
15	A'	321	304	1.69	1.59	0.75	0.86
16	A"	3174	3011	32.57	94.01	0.75	0.86
17	A"	3151	2989	9.67	71.05	0.75	0.86
18	A"	1494	1417	8.42	5.89	0.75	0.86
19	A"	1127	1069	1.24	0.71	0.75	0.86
20	A"	1052	998	0.08	1.70	0.75	0.86
21	A"	999	947	2.36	2.03	0.75	0.86
22	A"	722	685	30.09	0.52	0.75	0.86
23	A"	288	274	12.37	0.33	0.75	0.86
24	A"	163	155	0.37	0.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.180	0.000
C2	-0.049	-1.325	0.000
C3	1.153	-0.415	0.000
C4	-0.836	1.390	0.000
H5	-0.320	-1.848	0.912
H6	-0.320	-1.848	-0.912
H7	2.225	-0.373	0.000
H8	-0.227	2.290	0.000
H9	-1.482	1.401	-0.876
H10	-1.482	1.401	0.876

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5058	1.2971	1.4713	2.2462	2.2462	2.2924	2.1230	2.1107	2.1107
C2	1.5058		1.5078	2.8274	1.0853	1.0853	2.4654	3.6202	3.2020	3.2020
C3	1.2971	1.5078		2.6859	2.2481	2.2481	1.0729	3.0370	3.3175	3.3175
C4	1.4713	2.8274	2.6859		3.4037	3.4037	3.5323	1.0867	1.0888	1.0888
H5	2.2462	1.0853	2.2481	3.4037		1.8237	3.0794	4.2388	3.8863	3.4505
H6	2.2462	1.0853	2.2481	3.4037	1.8237		3.0794	4.2388	3.4505	3.8863
H7	2.2924	2.4654	1.0729	3.5323	3.0794	3.0794		3.6202	4.2015	4.2015
H8	2.1230	3.6202	3.0370	1.0867	4.2388	4.2388	3.6202		1.7702	1.7702
H9	2.1107	3.2020	3.3175	1.0888	3.8863	3.4505	4.2015	1.7702		1.7530
H10	2.1107	3.2020	3.3175	1.0888	3.4505	3.8863	4.2015	1.7702	1.7530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.986	H1	C2	C6	119.305
C2	C3	C6	24.895	C2	C3	C10	72.390
C2	C6	C3	35.790	C2	C6	H4	49.801
C2	C6	H5	32.843	C3	C2	C6	119.315
C3	C6	H4	51.986	C3	C6	H5	66.071
C3	C10	H7	9.340	C3	C10	H8	65.257
C3	C10	H9	74.680	H4	C6	H5	74.461
C6	C3	C10	86.323	H7	C10	H8	58.913
H7	C10	H9	77.959	H8	C10	H9	60.321

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

using model chemistry: MP2/cc-pVQZ

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/cc-pVQZ

States and conformations

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