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	hartrees
Energy at 0K	-194.722635
Energy at 298.15K	-194.730735
HF Energy	-193.952895
Nuclear repulsion energy	161.328057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3246	3178
2	A'	3245	3176
3	A'	3164	3097
4	A'	3152	3085
5	A'	3147	3080
6	A'	3136	3069
7	A'	1696	1660
8	A'	1506	1474
9	A'	1460	1429
10	A'	1347	1318
11	A'	1298	1271
12	A'	1230	1204
13	A'	1214	1189
14	A'	1055	1032
15	A'	996	975
16	A'	966	946
17	A'	822	805
18	A'	761	745
19	A'	437	428
20	A'	263	258
21	A"	3231	3162
22	A"	3140	3073
23	A"	1453	1422
24	A"	1189	1164
25	A"	1121	1097
26	A"	1060	1038
27	A"	995	974
28	A"	920	900
29	A"	885	866
30	A"	824	807
31	A"	659	645
32	A"	310	303
33	A"	116	113

Atom	x (Å)	y (Å)	z (Å)
C1	-0.395	0.291	0.000
C2	0.260	-1.047	0.000
C3	-0.403	-2.227	0.000
C4	0.260	1.445	0.758
C5	0.260	1.445	-0.758
H6	-1.494	0.272	0.000
H7	1.363	-1.045	0.000
H8	0.135	-3.183	0.000
H9	-1.502	-2.265	0.000
H10	-0.399	2.151	1.278
H11	1.206	1.234	1.272
H12	-0.399	2.151	-1.278
H13	1.206	1.234	-1.272

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4898	2.5185	1.5284	1.5284	1.0987	2.2083	3.5149	2.7854	2.2566	2.2521	2.2566	2.2521
C2	1.4898		1.3539	2.6049	2.6049	2.1941	1.1029	2.1403	2.1418	3.5063	2.7776	3.5063	2.7776
C3	2.5185	1.3539		3.8082	3.8082	2.7267	2.1251	1.0972	1.0992	4.5611	4.0234	4.5611	4.0234
C4	1.5284	2.6049	3.8082		1.5165	2.2422	2.8272	4.6921	4.1766	1.0966	1.0975	2.2535	2.2500
C5	1.5284	2.6049	3.8082	1.5165		2.2422	2.8272	4.6921	4.1766	2.2535	2.2500	1.0966	1.0975
H6	1.0987	2.1941	2.7267	2.2422	2.2422		3.1455	3.8199	2.5368	2.5226	3.1360	2.5226	3.1360
H7	2.2083	1.1029	2.1251	2.8272	2.8272	3.1455		2.4658	3.1134	3.8670	2.6145	3.8670	2.6145
H8	3.5149	2.1403	1.0972	4.6921	4.6921	3.8199	2.4658		1.8768	5.5115	4.7200	5.5115	4.7200
H9	2.7854	2.1418	1.0992	4.1766	4.1766	2.5368	3.1134	1.8768		4.7277	4.6036	4.7277	4.6036
H10	2.2566	3.5063	4.5611	1.0966	2.2535	2.5226	3.8670	5.5115	4.7277		1.8491	2.5556	3.1497
H11	2.2521	2.7776	4.0234	1.0975	2.2500	3.1360	2.6145	4.7200	4.6036	1.8491		3.1497	2.5440
H12	2.2566	3.5063	4.5611	2.2535	1.0966	2.5226	3.8670	5.5115	4.7277	2.5556	3.1497		1.8491
H13	2.2521	2.7776	4.0234	2.2500	1.0975	3.1360	2.6145	4.7200	4.6036	3.1497	2.5440	1.8491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.587	C1	C2	H7	116.002
C1	C4	C5	60.257	C1	C4	H10	117.612
C1	C4	H11	117.158	C1	C5	C4	60.257
C1	C5	H12	117.612	C1	C5	H13	117.158
C2	C1	C4	119.313	C2	C1	C5	119.313
C2	C1	H6	115.076	C2	C3	H8	121.307
C2	C3	H9	121.290	C3	C2	H7	119.411
C4	C1	H6	116.230	C4	C5	H12	118.278
C4	C5	H13	117.910	C5	C1	H6	116.230
C5	C4	H10	118.278	C5	C4	H11	117.910
H8	C3	H9	117.403	H10	C4	H11	114.869
H12	C5	H13	114.869

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: CCSD(T)/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: CCSD(T)/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)