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	hartrees
Energy at 0K	-194.761444
Energy at 298.15K	-194.769613
HF Energy	-193.958345
Nuclear repulsion energy	162.601828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3290	3290
2	A'	3286	3286
3	A'	3203	3203
4	A'	3197	3197
5	A'	3191	3191
6	A'	3176	3176
7	A'	1708	1708
8	A'	1553	1553
9	A'	1502	1502
10	A'	1378	1378
11	A'	1332	1332
12	A'	1256	1256
13	A'	1237	1237
14	A'	1099	1099
15	A'	1025	1025
16	A'	978	978
17	A'	840	840
18	A'	785	785
19	A'	443	443
20	A'	269	269
21	A"	3272	3272
22	A"	3185	3185
23	A"	1511	1511
24	A"	1225	1225
25	A"	1156	1156
26	A"	1102	1102
27	A"	1002	1002
28	A"	939	939
29	A"	882	882
30	A"	847	847
31	A"	667	667
32	A"	317	317
33	A"	114	114

Atom	x (Å)	y (Å)	z (Å)
C1	-0.390	0.290	0.000
C2	0.259	-1.042	0.000
C3	-0.405	-2.213	0.000
C4	0.259	1.436	0.753
C5	0.259	1.436	-0.753
H6	-1.475	0.273	0.000
H7	1.347	-1.044	0.000
H8	0.120	-3.159	0.000
H9	-1.488	-2.249	0.000
H10	-0.390	2.134	1.267
H11	1.193	1.231	1.261
H12	-0.390	2.134	-1.267
H13	1.193	1.231	-1.261

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4811	2.5032	1.5171	1.5171	1.0852	2.1905	3.4870	2.7661	2.2370	2.2316	2.2370	2.2316
C2	1.4811		1.3464	2.5898	2.5898	2.1754	1.0887	2.1224	2.1235	3.4797	2.7615	3.4797	2.7615
C3	2.5032	1.3464		3.7850	3.7850	2.7063	2.1063	1.0822	1.0841	4.5277	4.0004	4.5277	4.0004
C4	1.5171	2.5898	3.7850		1.5056	2.2196	2.8116	4.6592	4.1471	1.0824	1.0831	2.2331	2.2292
C5	1.5171	2.5898	3.7850	1.5056		2.2196	2.8116	4.6592	4.1471	2.2331	2.2292	1.0824	1.0831
H6	1.0852	2.1754	2.7063	2.2196	2.2196		3.1144	3.7846	2.5213	2.4992	3.1025	2.4992	3.1025
H7	2.1905	1.0887	2.1063	2.8116	2.8116	3.1144		2.4454	3.0809	3.8370	2.6055	3.8370	2.6055
H8	3.4870	2.1224	1.0822	4.6592	4.6592	3.7846	2.4454		1.8486	5.4665	4.6920	5.4665	4.6920
H9	2.7661	2.1235	1.0841	4.1471	4.1471	2.5213	3.0809	1.8486		4.6922	4.5701	4.6922	4.5701
H10	2.2370	3.4797	4.5277	1.0824	2.2331	2.4992	3.8370	5.4665	4.6922		1.8225	2.5339	3.1161
H11	2.2316	2.7615	4.0004	1.0831	2.2292	3.1025	2.6055	4.6920	4.5701	1.8225		3.1161	2.5213
H12	2.2370	3.4797	4.5277	2.2331	1.0824	2.4992	3.8370	5.4665	4.6922	2.5339	3.1161		1.8225
H13	2.2316	2.7615	4.0004	2.2292	1.0831	3.1025	2.6055	4.6920	4.5701	3.1161	2.5213	1.8225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.508	C1	C2	H7	116.107
C1	C4	C5	60.250	C1	C4	H10	117.791
C1	C4	H11	117.262	C1	C5	C4	60.250
C1	C5	H12	117.791	C1	C5	H13	117.262
C2	C1	C4	119.480	C2	C1	C5	119.480
C2	C1	H6	115.046	C2	C3	H8	121.454
C2	C3	H9	121.402	C3	C2	H7	119.385
C4	C1	H6	116.082	C4	C5	H12	118.361
C4	C5	H13	117.960	C5	C1	H6	116.082
C5	C4	H10	118.361	C5	C4	H11	117.960
H8	C3	H9	117.145	H10	C4	H11	114.622
H12	C5	H13	114.622

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: QCISD(T)=FULL/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: QCISD(T)=FULL/6-31+G**

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)