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	hartrees
Energy at 0K	-194.735040
Energy at 298.15K	-194.743149
HF Energy	-193.953193
Nuclear repulsion energy	161.462043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3251	3118
2	A'	3250	3117
3	A'	3169	3039
4	A'	3157	3028
5	A'	3152	3023
6	A'	3140	3012
7	A'	1698	1629
8	A'	1508	1446
9	A'	1462	1402
10	A'	1349	1293
11	A'	1299	1246
12	A'	1231	1181
13	A'	1216	1166
14	A'	1056	1012
15	A'	997	956
16	A'	968	928
17	A'	823	789
18	A'	762	731
19	A'	438	420
20	A'	264	253
21	A"	3236	3103
22	A"	3145	3016
23	A"	1455	1395
24	A"	1189	1141
25	A"	1122	1076
26	A"	1062	1018
27	A"	997	956
28	A"	922	884
29	A"	887	851
30	A"	826	792
31	A"	661	634
32	A"	311	298
33	A"	117	112

Atom	x (Å)	y (Å)	z (Å)
C1	-0.395	0.291	0.000
C2	0.260	-1.046	0.000
C3	-0.403	-2.225	0.000
C4	0.260	1.444	0.758
C5	0.260	1.444	-0.758
H6	-1.492	0.272	0.000
H7	1.362	-1.045	0.000
H8	0.134	-3.181	0.000
H9	-1.501	-2.263	0.000
H10	-0.399	2.150	1.277
H11	1.205	1.233	1.271
H12	-0.399	2.150	-1.277
H13	1.205	1.233	-1.271

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4883	2.5163	1.5271	1.5271	1.0977	2.2069	3.5117	2.7836	2.2547	2.2502	2.2547	2.2502
C2	1.4883		1.3532	2.6024	2.6024	2.1919	1.1019	2.1387	2.1408	3.5031	2.7751	3.5031	2.7751
C3	2.5163	1.3532		3.8049	3.8049	2.7239	2.1232	1.0963	1.0983	4.5572	4.0201	4.5572	4.0201
C4	1.5271	2.6024	3.8049		1.5153	2.2403	2.8256	4.6880	4.1737	1.0957	1.0966	2.2516	2.2484
C5	1.5271	2.6024	3.8049	1.5153		2.2403	2.8256	4.6880	4.1737	2.2516	2.2484	1.0957	1.0966
H6	1.0977	2.1919	2.7239	2.2403	2.2403		3.1430	3.8162	2.5349	2.5205	3.1333	2.5205	3.1333
H7	2.2069	1.1019	2.1232	2.8256	2.8256	3.1430		2.4631	3.1110	3.8644	2.6132	3.8644	2.6132
H8	3.5117	2.1387	1.0963	4.6880	4.6880	3.8162	2.4631		1.8750	5.5067	4.7160	5.5067	4.7160
H9	2.7836	2.1408	1.0983	4.1737	4.1737	2.5349	3.1110	1.8750		4.7242	4.6003	4.7242	4.6003
H10	2.2547	3.5031	4.5572	1.0957	2.2516	2.5205	3.8644	5.5067	4.7242		1.8475	2.5534	3.1472
H11	2.2502	2.7751	4.0201	1.0966	2.2484	3.1333	2.6132	4.7160	4.6003	1.8475		3.1472	2.5425
H12	2.2547	3.5031	4.5572	2.2516	1.0957	2.5205	3.8644	5.5067	4.7242	2.5534	3.1472		1.8475
H13	2.2502	2.7751	4.0201	2.2484	1.0966	3.1333	2.6132	4.7160	4.6003	3.1472	2.5425	1.8475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.570	C1	C2	H7	116.062
C1	C4	C5	60.256	C1	C4	H10	117.612
C1	C4	H11	117.159	C1	C5	C4	60.256
C1	C5	H12	117.612	C1	C5	H13	117.159
C2	C1	C4	119.313	C2	C1	C5	119.313
C2	C1	H6	115.073	C2	C3	H8	121.289
C2	C3	H9	121.330	C3	C2	H7	119.368
C4	C1	H6	116.233	C4	C5	H12	118.275
C4	C5	H13	117.930	C5	C1	H6	116.233
C5	C4	H10	118.275	C5	C4	H11	117.930
H8	C3	H9	117.380	H10	C4	H11	114.859
H12	C5	H13	114.859

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: QCISD(T)=FULL/cc-pVDZ

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: QCISD(T)=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)