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	hartrees
Energy at 0K	-194.696325
Energy at 298.15K	-194.704489
HF Energy	-193.953826
Nuclear repulsion energy	161.668610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3092	17.74
2	A'	3261	3089	14.92
3	A'	3184	3016	8.47
4	A'	3173	3006	2.27
5	A'	3166	2999	13.47
6	A'	3157	2990	7.81
7	A'	1731	1639	16.78
8	A'	1523	1443	1.10
9	A'	1473	1396	0.12
10	A'	1365	1293	0.81
11	A'	1313	1244	3.70
12	A'	1242	1177	2.23
13	A'	1230	1165	2.34
14	A'	1072	1016	1.13
15	A'	1007	954	2.44
16	A'	979	927	30.41
17	A'	831	787	1.21
18	A'	770	730	0.24
19	A'	443	420	0.89
20	A'	267	253	1.05
21	A"	3247	3076	0.12
22	A"	3158	2991	16.74
23	A"	1465	1388	0.94
24	A"	1201	1138	0.64
25	A"	1135	1075	1.37
26	A"	1080	1023	2.87
27	A"	1015	961	10.78
28	A"	940	890	9.73
29	A"	914	865	32.80
30	A"	835	791	5.23
31	A"	671	635	4.22
32	A"	314	297	0.87
33	A"	116	110	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.394	0.292	0.000
C2	0.259	-1.047	0.000
C3	-0.402	-2.222	0.000
C4	0.259	1.442	0.756
C5	0.259	1.442	-0.756
H6	-1.490	0.272	0.000
H7	1.360	-1.047	0.000
H8	0.134	-3.177	0.000
H9	-1.499	-2.260	0.000
H10	-0.398	2.148	1.276
H11	1.204	1.234	1.270
H12	-0.398	2.148	-1.276
H13	1.204	1.234	-1.270

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4893	2.5135	1.5237	1.5237	1.0969	2.2060	3.5089	2.7814	2.2522	2.2482	2.2522	2.2482
C2	1.4893		1.3479	2.6018	2.6018	2.1909	1.1009	2.1339	2.1360	3.5023	2.7769	3.5023	2.7769
C3	2.5135	1.3479		3.7993	3.7993	2.7210	2.1176	1.0956	1.0975	4.5518	4.0171	4.5518	4.0171
C4	1.5237	2.6018	3.7993		1.5128	2.2362	2.8252	4.6828	4.1682	1.0951	1.0959	2.2494	2.2459
C5	1.5237	2.6018	3.7993	1.5128		2.2362	2.8252	4.6828	4.1682	2.2494	2.2459	1.0951	1.0959
H6	1.0969	2.1909	2.7210	2.2362	2.2362		3.1406	3.8127	2.5328	2.5174	3.1303	2.5174	3.1303
H7	2.2060	1.1009	2.1176	2.8252	2.8252	3.1406		2.4578	3.1057	3.8633	2.6156	3.8633	2.6156
H8	3.5089	2.1339	1.0956	4.6828	4.6828	3.8127	2.4578		1.8726	5.5014	4.7138	5.5014	4.7138
H9	2.7814	2.1360	1.0975	4.1682	4.1682	2.5328	3.1057	1.8726		4.7192	4.5971	4.7192	4.5971
H10	2.2522	3.5023	4.5518	1.0951	2.2494	2.5174	3.8633	5.5014	4.7192		1.8447	2.5519	3.1441
H11	2.2482	2.7769	4.0171	1.0959	2.2459	3.1303	2.6156	4.7138	4.5971	1.8447		3.1441	2.5403
H12	2.2522	3.5023	4.5518	2.2494	1.0951	2.5174	3.8633	5.5014	4.7192	2.5519	3.1441		1.8447
H13	2.2482	2.7769	4.0171	2.2459	1.0959	3.1303	2.6156	4.7138	4.5971	3.1441	2.5403	1.8447

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.651	C1	C2	H7	115.981
C1	C4	C5	60.237	C1	C4	H10	117.704
C1	C4	H11	117.294	C1	C5	C4	60.237
C1	C5	H12	117.704	C1	C5	H13	117.294
C2	C1	C4	119.426	C2	C1	C5	119.426
C2	C1	H6	114.963	C2	C3	H8	121.343
C2	C3	H9	121.394	C3	C2	H7	119.369
C4	C1	H6	116.198	C4	C5	H12	118.324
C4	C5	H13	117.955	C5	C1	H6	116.198
C5	C4	H10	118.324	C5	C4	H11	117.955
H8	C3	H9	117.263	H10	C4	H11	114.686
H12	C5	H13	114.686

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: CCSD/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/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)