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	hartrees
Energy at 0K	-194.700194
Energy at 298.15K	-194.708438
HF Energy	-193.958969
Nuclear repulsion energy	162.970532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3334	3102	18.06
2	A'	3329	3098	18.57
3	A'	3249	3024	9.12
4	A'	3243	3017	3.78
5	A'	3235	3010	12.97
6	A'	3223	2999	9.15
7	A'	1756	1634	22.60
8	A'	1574	1465	1.16
9	A'	1519	1414	0.32
10	A'	1402	1305	1.53
11	A'	1352	1258	3.48
12	A'	1272	1183	3.65
13	A'	1258	1170	1.70
14	A'	1118	1040	2.33
15	A'	1037	965	2.63
16	A'	996	927	39.19
17	A'	852	792	1.54
18	A'	797	742	0.54
19	A'	452	420	1.04
20	A'	273	254	1.15
21	A"	3316	3085	0.15
22	A"	3229	3004	19.20
23	A"	1527	1421	0.78
24	A"	1241	1155	0.83
25	A"	1172	1090	1.66
26	A"	1120	1043	3.55
27	A"	1027	955	18.65
28	A"	961	894	9.21
29	A"	909	846	49.43
30	A"	862	802	6.75
31	A"	681	634	6.58
32	A"	322	299	1.40
33	A"	115	107	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.388	0.290	0.000
C2	0.258	-1.043	0.000
C3	-0.405	-2.206	0.000
C4	0.258	1.434	0.751
C5	0.258	1.434	-0.751
H6	-1.470	0.272	0.000
H7	1.344	-1.048	0.000
H8	0.117	-3.152	0.000
H9	-1.486	-2.240	0.000
H10	-0.389	2.129	1.264
H11	1.191	1.230	1.258
H12	-0.389	2.129	-1.264
H13	1.191	1.230	-1.258

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4810	2.4957	1.5136	1.5136	1.0824	2.1885	3.4782	2.7571	2.2321	2.2274	2.2321	2.2274
C2	1.4810		1.3387	2.5879	2.5879	2.1721	1.0859	2.1137	2.1152	3.4756	2.7606	3.4756	2.7606
C3	2.4957	1.3387		3.7750	3.7750	2.6979	2.0975	1.0799	1.0817	4.5158	3.9922	4.5158	3.9922
C4	1.5136	2.5879	3.7750		1.5028	2.2138	2.8109	4.6487	4.1350	1.0800	1.0807	2.2285	2.2247
C5	1.5136	2.5879	3.7750	1.5028		2.2138	2.8109	4.6487	4.1350	2.2285	2.2247	1.0800	1.0807
H6	1.0824	2.1721	2.6979	2.2138	2.2138		3.1088	3.7741	2.5121	2.4928	3.0957	2.4928	3.0957
H7	2.1885	1.0859	2.0975	2.8109	2.8109	3.1088		2.4359	3.0707	3.8337	2.6071	3.8337	2.6071
H8	3.4782	2.1137	1.0799	4.6487	4.6487	3.7741	2.4359		1.8438	5.4537	4.6841	5.4537	4.6841
H9	2.7571	2.1152	1.0817	4.1350	4.1350	2.5121	3.0707	1.8438		4.6783	4.5595	4.6783	4.5595
H10	2.2321	3.4756	4.5158	1.0800	2.2285	2.4928	3.8337	5.4537	4.6783		1.8181	2.5285	3.1093
H11	2.2274	2.7606	3.9922	1.0807	2.2247	3.0957	2.6071	4.6841	4.5595	1.8181		3.1093	2.5163
H12	2.2321	3.4756	4.5158	2.2285	1.0800	2.4928	3.8337	5.4537	4.6783	2.5285	3.1093		1.8181
H13	2.2274	2.7606	3.9922	2.2247	1.0807	3.0957	2.6071	4.6841	4.5595	3.1093	2.5163	1.8181

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.445	C1	C2	H7	116.138
C1	C4	C5	60.237	C1	C4	H10	117.803
C1	C4	H11	117.337	C1	C5	C4	60.237
C1	C5	H12	117.803	C1	C5	H13	117.337
C2	C1	C4	119.581	C2	C1	C5	119.581
C2	C1	H6	114.967	C2	C3	H8	121.467
C2	C3	H9	121.459	C3	C2	H7	119.417
C4	C1	H6	116.037	C4	C5	H12	118.351
C4	C5	H13	117.964	C5	C1	H6	116.037
C5	C4	H10	118.351	C5	C4	H11	117.964
H8	C3	H9	117.074	H10	C4	H11	114.579
H12	C5	H13	114.579

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)