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	hartrees
Energy at 0K	-194.877735
Energy at 298.15K	-194.871367
HF Energy	-193.936525
Nuclear repulsion energy	163.460447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3393	3393	28.40
2	A'	3384	3384	32.86
3	A'	3319	3319	12.56
4	A'	3317	3317	4.32
5	A'	3301	3301	29.60
6	A'	3295	3295	4.46
7	A'	1873	1873	24.91
8	A'	1654	1654	1.12
9	A'	1596	1596	0.49
10	A'	1477	1477	2.32
11	A'	1428	1428	3.73
12	A'	1333	1333	1.86
13	A'	1305	1305	2.72
14	A'	1176	1176	1.35
15	A'	1089	1089	3.78
16	A'	1030	1030	38.35
17	A'	882	882	1.40
18	A'	825	825	0.47
19	A'	473	473	1.38
20	A'	289	289	1.44
21	A"	3367	3367	0.18
22	A"	3289	3289	32.56
23	A"	1601	1601	0.50
24	A"	1307	1307	0.50
25	A"	1242	1242	0.79
26	A"	1191	1191	3.01
27	A"	1130	1130	8.62
28	A"	1039	1039	40.21
29	A"	1015	1015	20.93
30	A"	892	892	8.60
31	A"	735	735	3.94
32	A"	336	336	0.96
33	A"	123	123	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.388	0.292	0.000
C2	0.254	-1.048	0.000
C3	-0.392	-2.201	0.000
C4	0.254	1.432	0.748
C5	0.254	1.432	-0.748
H6	-1.467	0.272	0.000
H7	1.336	-1.050	0.000
H8	0.133	-3.142	0.000
H9	-1.471	-2.251	0.000
H10	-0.393	2.125	1.263
H11	1.185	1.239	1.258
H12	-0.393	2.125	-1.263
H13	1.185	1.239	-1.258

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4850	2.4925	1.5074	1.5074	1.0794	2.1849	3.4733	2.7633	2.2258	2.2255	2.2258	2.2255
C2	1.4850		1.3220	2.5900	2.5900	2.1688	1.0826	2.0983	2.1029	3.4750	2.7704	3.4750	2.7704
C3	2.4925	1.3220		3.7650	3.7650	2.6967	2.0766	1.0783	1.0798	4.5060	3.9874	4.5060	3.9874
C4	1.5074	2.5900	3.7650		1.4959	2.2061	2.8094	4.6368	4.1349	1.0785	1.0790	2.2227	2.2197
C5	1.5074	2.5900	3.7650	1.4959		2.2061	2.8094	4.6368	4.1349	2.2227	2.2197	1.0785	1.0790
H6	1.0794	2.1688	2.6967	2.2061	2.2061		3.0998	3.7712	2.5229	2.4857	3.0903	2.4857	3.0903
H7	2.1849	1.0826	2.0766	2.8094	2.8094	3.0998		2.4134	3.0532	3.8294	2.6159	3.8294	2.6159
H8	3.4733	2.0983	1.0783	4.6368	4.6368	3.7712	2.4134		1.8355	5.4418	4.6776	5.4418	4.6776
H9	2.7633	2.1029	1.0798	4.1349	4.1349	2.5229	3.0532	1.8355		4.6796	4.5619	4.6796	4.5619
H10	2.2258	3.4750	4.5060	1.0785	2.2227	2.4857	3.8294	5.4418	4.6796		1.8099	2.5250	3.1028
H11	2.2255	2.7704	3.9874	1.0790	2.2197	3.0903	2.6159	4.6776	4.5619	1.8099		3.1028	2.5154
H12	2.2258	3.4750	4.5060	2.2227	1.0785	2.4857	3.8294	5.4418	4.6796	2.5250	3.1028		1.8099
H13	2.2255	2.7704	3.9874	2.2197	1.0790	3.0903	2.6159	4.6776	4.5619	3.1028	2.5154	1.8099

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.140	C1	C2	H7	115.744
C1	C4	C5	60.251	C1	C4	H10	117.846
C1	C4	H11	117.787	C1	C5	C4	60.251
C1	C5	H12	117.846	C1	C5	H13	117.787
C2	C1	C4	119.886	C2	C1	C5	119.886
C2	C1	H6	114.578	C2	C3	H8	121.569
C2	C3	H9	121.898	C3	C2	H7	119.116
C4	C1	H6	116.060	C4	C5	H12	118.497
C4	C5	H13	118.193	C5	C1	H6	116.060
C5	C4	H10	118.497	C5	C4	H11	118.193
H8	C3	H9	116.533	H10	C4	H11	114.049
H12	C5	H13	114.049

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)