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	hartrees
Energy at 0K	-155.504462
Energy at 298.15K
HF Energy	-154.920703
Nuclear repulsion energy	109.054437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3392	3135	1.37
2	A'	3227	2981	15.33
3	A'	3145	2906	71.17
4	A'	3137	2899	21.82
5	A'	1946	1798	15.58
6	A'	1595	1474	3.66
7	A'	1551	1433	9.32
8	A'	1474	1362	0.01
9	A'	1258	1162	4.08
10	A'	1149	1062	6.43
11	A'	1136	1049	30.87
12	A'	1028	950	7.07
13	A'	996	920	14.82
14	A'	718	664	0.71
15	A'	335	310	1.64
16	A"	3211	2967	34.73
17	A"	3203	2960	20.62
18	A"	1547	1430	8.47
19	A"	1172	1083	1.80
20	A"	1104	1020	0.32
21	A"	1036	957	1.85
22	A"	789	729	36.64
23	A"	314	290	13.16
24	A"	167	154	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.174	0.000
C2	-0.015	-1.321	0.000
C3	1.153	-0.383	0.000
C4	-0.866	1.366	0.000
H5	-0.276	-1.853	0.905
H6	-0.276	-1.853	-0.905
H7	2.218	-0.313	0.000
H8	-0.281	2.277	0.000
H9	-1.509	1.362	-0.874
H10	-1.509	1.362	0.874

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4953	1.2806	1.4730	2.2377	2.2377	2.2711	2.1211	2.1096	2.1096
C2	1.4953		1.4974	2.8184	1.0823	1.0823	2.4498	3.6074	3.1927	3.1927
C3	1.2806	1.4974		2.6712	2.2408	2.2408	1.0677	3.0219	3.3005	3.3005
C4	1.4730	2.8184	2.6712		3.3959	3.3959	3.5116	1.0825	1.0845	1.0845
H5	2.2377	1.0823	2.2408	3.3959		1.8108	3.0678	4.2282	3.8762	3.4440
H6	2.2377	1.0823	2.2408	3.3959	1.8108		3.0678	4.2282	3.4440	3.8762
H7	2.2711	2.4498	1.0677	3.5116	3.0678	3.0678		3.5991	4.1784	4.1784
H8	2.1211	3.6074	3.0219	1.0825	4.2282	4.2282	3.5991		1.7625	1.7625
H9	2.1096	3.1927	3.3005	1.0845	3.8762	3.4440	4.1784	1.7625		1.7474
H10	2.1096	3.1927	3.3005	1.0845	3.4440	3.8762	4.1784	1.7625	1.7474

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.670	H1	C2	C6	119.629
C2	C3	C6	24.796	C2	C3	C10	72.685
C2	C6	C3	35.466	C2	C6	H4	49.642
C2	C6	H5	33.224	C3	C2	C6	119.738
C3	C6	H4	51.771	C3	C6	H5	66.169
C3	C10	H7	9.387	C3	C10	H8	65.267
C3	C10	H9	74.650	H4	C6	H5	74.537
C6	C3	C10	86.553	H7	C10	H8	58.883
H7	C10	H9	77.931	H8	C10	H9	60.284

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

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

States and conformations

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