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	hartrees
Energy at 0K	-194.632806
Energy at 298.15K	-194.641002
HF Energy	-193.938624
Nuclear repulsion energy	162.574613

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3256	3101	33.47
2	A'	3255	3100	7.84
3	A'	3178	3026	7.05
4	A'	3175	3024	4.54
5	A'	3170	3019	15.97
6	A'	3149	2999	10.14
7	A'	1745	1662	15.23
8	A'	1564	1489	1.27
9	A'	1507	1436	0.22
10	A'	1396	1329	0.85
11	A'	1346	1282	3.24
12	A'	1268	1207	2.39
13	A'	1255	1195	1.50
14	A'	1109	1056	1.99
15	A'	1034	984	4.00
16	A'	993	945	30.08
17	A'	847	807	1.01
18	A'	792	754	0.30
19	A'	450	429	0.89
20	A'	273	260	1.03
21	A"	3242	3088	0.13
22	A"	3164	3013	19.69
23	A"	1517	1444	1.15
24	A"	1233	1174	0.60
25	A"	1165	1110	1.42
26	A"	1112	1059	4.13
27	A"	1019	971	12.02
28	A"	961	915	7.77
29	A"	913	869	40.74
30	A"	858	817	6.64
31	A"	679	646	3.98
32	A"	318	303	1.09
33	A"	114	108	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.387	0.291	0.000
C2	0.258	-1.045	0.000
C3	-0.404	-2.210	0.000
C4	0.258	1.436	0.751
C5	0.258	1.436	-0.751
H6	-1.478	0.272	0.000
H7	1.352	-1.048	0.000
H8	0.119	-3.164	0.000
H9	-1.492	-2.250	0.000
H10	-0.393	2.135	1.271
H11	1.196	1.235	1.265
H12	-0.393	2.135	-1.271
H13	1.196	1.235	-1.265

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4833	2.5005	1.5137	1.5137	1.0904	2.1950	3.4913	2.7712	2.2402	2.2359	2.2402	2.2359
C2	1.4833		1.3396	2.5917	2.5917	2.1784	1.0938	2.1234	2.1254	3.4860	2.7710	3.4860	2.7710
C3	2.5005	1.3396		3.7803	3.7803	2.7039	2.1048	1.0877	1.0894	4.5270	4.0032	4.5270	4.0032
C4	1.5137	2.5917	3.7803		1.5025	2.2205	2.8164	4.6623	4.1492	1.0878	1.0884	2.2370	2.2330
C5	1.5137	2.5917	3.7803	1.5025		2.2205	2.8164	4.6623	4.1492	2.2370	2.2330	1.0878	1.0884
H6	1.0904	2.1784	2.7039	2.2205	2.2205		3.1222	3.7883	2.5225	2.5031	3.1108	2.5031	3.1108
H7	2.1950	1.0938	2.1048	2.8164	2.8164	3.1222		2.4483	3.0877	3.8465	2.6152	3.8465	2.6152
H8	3.4913	2.1234	1.0877	4.6623	4.6623	3.7883	2.4483		1.8518	5.4732	4.7021	5.4732	4.7021
H9	2.7712	2.1254	1.0894	4.1492	4.1492	2.5225	3.0877	1.8518		4.6969	4.5802	4.6969	4.5802
H10	2.2402	3.4860	4.5270	1.0878	2.2370	2.5031	3.8465	5.4732	4.6969		1.8262	2.5429	3.1256
H11	2.2359	2.7710	4.0032	1.0884	2.2330	3.1108	2.6152	4.7021	4.5802	1.8262		3.1256	2.5304
H12	2.2402	3.4860	4.5270	2.2370	1.0878	2.5031	3.8465	5.4732	4.6969	2.5429	3.1256		1.8262
H13	2.2359	2.7710	4.0032	2.2330	1.0884	3.1108	2.6152	4.7021	4.5802	3.1256	2.5304	1.8262

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.617	C1	C2	H7	115.977
C1	C4	C5	60.246	C1	C4	H10	117.953
C1	C4	H11	117.536	C1	C5	C4	60.246
C1	C5	H12	117.953	C1	C5	H13	117.536
C2	C1	C4	119.711	C2	C1	C5	119.711
C2	C1	H6	114.789	C2	C3	H8	121.695
C2	C3	H9	121.753	C3	C2	H7	119.407
C4	C1	H6	116.059	C4	C5	H12	118.571
C4	C5	H13	118.176	C5	C1	H6	116.059
C5	C4	H10	118.571	C5	C4	H11	118.176
H8	C3	H9	116.552	H10	C4	H11	114.100
H12	C5	H13	114.100

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: QCISD/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)