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	hartrees
Energy at 0K	-155.610303
Energy at 298.15K
HF Energy	-154.922930
Nuclear repulsion energy	108.367296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3317	3097	0.44
2	A'	3150	2942	14.81
3	A'	3083	2879	64.43
4	A'	3062	2859	21.06
5	A'	1885	1760	11.88
6	A'	1550	1447	4.34
7	A'	1507	1408	8.01
8	A'	1428	1333	0.03
9	A'	1222	1141	3.48
10	A'	1110	1037	4.55
11	A'	1094	1021	31.11
12	A'	1000	933	5.36
13	A'	962	899	13.41
14	A'	693	647	0.60
15	A'	326	305	1.49
16	A"	3152	2943	41.47
17	A"	3127	2920	14.21
18	A"	1504	1404	7.49
19	A"	1138	1062	1.72
20	A"	1069	998	0.21
21	A"	1009	942	1.82
22	A"	743	693	31.31
23	A"	299	280	11.82
24	A"	159	148	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.177	0.000
C2	-0.033	-1.330	0.000
C3	1.156	-0.400	0.000
C4	-0.853	1.384	0.000
H5	-0.298	-1.859	0.911
H6	-0.298	-1.859	-0.911
H7	2.228	-0.342	0.000
H8	-0.253	2.292	0.000
H9	-1.500	1.389	-0.878
H10	-1.500	1.389	0.878

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5069	1.2923	1.4783	2.2508	2.2508	2.2874	2.1301	2.1193	2.1193
C2	1.5069		1.5093	2.8350	1.0870	1.0870	2.4668	3.6283	3.2120	3.2120
C3	1.2923	1.5093		2.6874	2.2528	2.2528	1.0730	3.0386	3.3210	3.3210
C4	1.4783	2.8350	2.6874		3.4145	3.4145	3.5317	1.0886	1.0907	1.0907
H5	2.2508	1.0870	2.2528	3.4145		1.8226	3.0841	4.2505	3.8991	3.4642
H6	2.2508	1.0870	2.2528	3.4145	1.8226		3.0841	4.2505	3.4642	3.8991
H7	2.2874	2.4668	1.0730	3.5317	3.0841	3.0841		3.6182	4.2029	4.2029
H8	2.1301	3.6283	3.0386	1.0886	4.2505	4.2505	3.6182		1.7723	1.7723
H9	2.1193	3.2120	3.3210	1.0907	3.8991	3.4642	4.2029	1.7723		1.7570
H10	2.1193	3.2120	3.3210	1.0907	3.4642	3.8991	4.2029	1.7723	1.7570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.738	H1	C2	C6	119.516
C2	C3	C6	24.832	C2	C3	C10	72.647
C2	C6	C3	35.669	C2	C6	H4	49.676
C2	C6	H5	33.032	C3	C2	C6	119.499
C3	C6	H4	51.808	C3	C6	H5	66.139
C3	C10	H7	9.383	C3	C10	H8	65.203
C3	C10	H9	74.661	H4	C6	H5	74.521
C6	C3	C10	86.548	H7	C10	H8	58.817
H7	C10	H9	77.935	H8	C10	H9	60.286

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

using model chemistry: CCD/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: CCD/cc-pVTZ

States and conformations

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