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	hartrees
Energy at 0K	-155.604895
Energy at 298.15K
HF Energy	-154.920019
Nuclear repulsion energy	108.381148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3329	3329	0.69
2	A'	3167	3167	14.09
3	A'	3091	3091	65.52
4	A'	3076	3076	19.74
5	A'	1889	1889	13.71
6	A'	1550	1550	3.66
7	A'	1510	1510	9.30
8	A'	1431	1431	0.03
9	A'	1219	1219	3.93
10	A'	1107	1107	4.86
11	A'	1090	1090	30.55
12	A'	998	998	5.86
13	A'	961	961	13.69
14	A'	694	694	0.69
15	A'	324	324	1.60
16	A"	3161	3161	37.10
17	A"	3143	3143	13.63
18	A"	1506	1506	8.34
19	A"	1135	1135	1.59
20	A"	1067	1067	0.11
21	A"	1007	1007	1.86
22	A"	739	739	34.05
23	A"	294	294	13.09
24	A"	160	160	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.177	0.000
C2	-0.027	-1.330	0.000
C3	1.158	-0.393	0.000
C4	-0.860	1.379	0.000
H5	-0.290	-1.861	0.911
H6	-0.290	-1.861	-0.911
H7	2.229	-0.330	0.000
H8	-0.265	2.290	0.000
H9	-1.506	1.381	-0.878
H10	-1.506	1.381	0.878

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5070	1.2909	1.4784	2.2511	2.2511	2.2862	2.1300	2.1189	2.1189
C2	1.5070		1.5105	2.8345	1.0871	1.0871	2.4679	3.6280	3.2106	3.2106
C3	1.2909	1.5105		2.6861	2.2542	2.2542	1.0730	3.0377	3.3194	3.3194
C4	1.4784	2.8345	2.6861		3.4141	3.4141	3.5306	1.0878	1.0901	1.0901
H5	2.2511	1.0871	2.2542	3.4141		1.8228	3.0856	4.2502	3.8976	3.4629
H6	2.2511	1.0871	2.2542	3.4141	1.8228		3.0856	4.2502	3.4629	3.8976
H7	2.2862	2.4679	1.0730	3.5306	3.0856	3.0856		3.6177	4.2016	4.2016
H8	2.1300	3.6280	3.0377	1.0878	4.2502	4.2502	3.6177		1.7714	1.7714
H9	2.1189	3.2106	3.3194	1.0901	3.8976	3.4629	4.2016	1.7714		1.7553
H10	2.1189	3.2106	3.3194	1.0901	3.4629	3.8976	4.2016	1.7714	1.7553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.656	H1	C2	C6	119.524
C2	C3	C6	24.815	C2	C3	C10	72.640
C2	C6	C3	35.674	C2	C6	H4	49.675
C2	C6	H5	33.031	C3	C2	C6	119.512
C3	C6	H4	51.783	C3	C6	H5	66.152
C3	C10	H7	9.382	C3	C10	H8	65.220
C3	C10	H9	74.668	H4	C6	H5	74.517
C6	C3	C10	86.520	H7	C10	H8	58.833
H7	C10	H9	77.943	H8	C10	H9	60.300

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

using model chemistry: MP3/6-311+G(3df,2p)

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: MP3/6-311+G(3df,2p)

States and conformations

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