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	hartrees
Energy at 0K	-193.349681
Energy at 298.15K	-193.357890
HF Energy	-192.852800
Nuclear repulsion energy	161.345874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3158	16.03
2	A'	3207	3118	18.31
3	A'	3167	3079	4.09
4	A'	3158	3070	8.28
5	A'	3131	3044	5.53
6	A'	3103	3017	9.70
7	A'	1705	1658	7.88
8	A'	1556	1513	1.50
9	A'	1528	1486	0.24
10	A'	1380	1342	0.68
11	A'	1373	1335	1.82
12	A'	1259	1224	1.55
13	A'	1168	1135	1.70
14	A'	1132	1101	11.30
15	A'	1059	1029	3.03
16	A'	929	903	23.11
17	A'	830	807	1.06
18	A'	788	766	1.52
19	A'	454	441	1.19
20	A'	276	269	0.61
21	A"	3233	3143	0.06
22	A"	3152	3065	13.35
23	A"	1539	1496	2.82
24	A"	1230	1196	0.78
25	A"	1181	1148	1.18
26	A"	1147	1115	8.41
27	A"	1022	993	11.42
28	A"	954	928	3.26
29	A"	941	915	43.22
30	A"	823	800	14.60
31	A"	677	658	3.59
32	A"	324	315	1.80
33	A"	106	103	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.410	0.288	0.000
C2	0.257	-1.047	0.000
C3	-0.384	-2.227	0.000
C4	0.257	1.447	0.766
C5	0.257	1.447	-0.766
H6	-1.499	0.267	0.000
H7	1.352	-1.022	0.000
H8	0.153	-3.174	0.000
H9	-1.473	-2.290	0.000
H10	-0.391	2.154	1.277
H11	1.192	1.230	1.276
H12	-0.391	2.154	-1.277
H13	1.192	1.230	-1.276

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4923	2.5151	1.5404	1.5404	1.0891	2.1955	3.5078	2.7884	2.2603	2.2541	2.2603	2.2541
C2	1.4923		1.3430	2.6083	2.6083	2.1931	1.0949	2.1299	2.1302	3.5058	2.7721	3.5058	2.7721
C3	2.5151	1.3430		3.8067	3.8067	2.7317	2.1128	1.0889	1.0907	4.5625	4.0075	4.5625	4.0075
C4	1.5404	2.6083	3.8067		1.5312	2.2496	2.8069	4.6849	4.1879	1.0866	1.0871	2.2562	2.2560
C5	1.5404	2.6083	3.8067	1.5312		2.2496	2.8069	4.6849	4.1879	2.2562	2.2560	1.0866	1.0871
H6	1.0891	2.1931	2.7317	2.2496	2.2496		3.1285	3.8171	2.5569	2.5328	3.1298	2.5328	3.1298
H7	2.1955	1.0949	2.1128	2.8069	2.8069	3.1285		2.4634	3.0960	3.8407	2.5931	3.8407	2.5931
H8	3.5078	2.1299	1.0889	4.6849	4.6849	3.8171	2.4634		1.8508	5.5053	4.7012	5.5053	4.7012
H9	2.7884	2.1302	1.0907	4.1879	4.1879	2.5569	3.0960	1.8508		4.7477	4.5952	4.7477	4.5952
H10	2.2603	3.5058	4.5625	1.0866	2.2562	2.5328	3.8407	5.5053	4.7477		1.8328	2.5533	3.1425
H11	2.2541	2.7721	4.0075	1.0871	2.2560	3.1298	2.5931	4.7012	4.5952	1.8328		3.1425	2.5520
H12	2.2603	3.5058	4.5625	2.2562	1.0866	2.5328	3.8407	5.5053	4.7477	2.5533	3.1425		1.8328
H13	2.2541	2.7721	4.0075	2.2560	1.0871	3.1298	2.5931	4.7012	4.5952	3.1425	2.5520	1.8328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.937	C1	C2	H7	115.257
C1	C4	C5	60.197	C1	C4	H10	117.690
C1	C4	H11	117.110	C1	C5	C4	60.197
C1	C5	H12	117.690	C1	C5	H13	117.110
C2	C1	C4	118.633	C2	C1	C5	118.633
C2	C1	H6	115.438	C2	C3	H8	121.941
C2	C3	H9	121.819	C3	C2	H7	119.805
C4	C1	H6	116.581	C4	C5	H12	118.056
C4	C5	H13	118.001	C5	C1	H6	116.581
C5	C4	H10	118.056	C5	C4	H11	118.001
H8	C3	H9	116.240	H10	C4	H11	114.956
H12	C5	H13	114.956

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: CCD/3-21G

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 C5H8 (Ethenylcyclopropane)

using model chemistry: CCD/3-21G

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)