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	hartrees
Energy at 0K	-194.770791
Energy at 298.15K	-194.778848
HF Energy	-193.959880
Nuclear repulsion energy	161.390523

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3235	3138
2	A'	3232	3136
3	A'	3154	3059
4	A'	3141	3047
5	A'	3134	3041
6	A'	3128	3034
7	A'	1679	1628
8	A'	1495	1450
9	A'	1456	1413
10	A'	1339	1299
11	A'	1297	1258
12	A'	1225	1188
13	A'	1206	1170
14	A'	1031	1000
15	A'	990	960
16	A'	953	925
17	A'	814	790
18	A'	752	729
19	A'	434	421
20	A'	261	253
21	A"	3218	3121
22	A"	3127	3034
23	A"	1450	1407
24	A"	1179	1144
25	A"	1107	1074
26	A"	1045	1014
27	A"	981	952
28	A"	902	875
29	A"	891	864
30	A"	815	791
31	A"	656	636
32	A"	308	299
33	A"	106	103

Atom	x (Å)	y (Å)	z (Å)
C1	-0.400	0.292	0.000
C2	0.260	-1.042	0.000
C3	-0.399	-2.227	0.000
C4	0.260	1.444	0.760
C5	0.260	1.444	-0.760
H6	-1.496	0.275	0.000
H7	1.360	-1.038	0.000
H8	0.142	-3.179	0.000
H9	-1.495	-2.269	0.000
H10	-0.396	2.150	1.278
H11	1.203	1.227	1.271
H12	-0.396	2.150	-1.278
H13	1.203	1.227	-1.271

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4883	2.5191	1.5297	1.5297	1.0964	2.2061	3.5130	2.7854	2.2554	2.2496	2.2554	2.2496
C2	1.4883		1.3558	2.5997	2.5997	2.1950	1.1007	2.1401	2.1413	3.5008	2.7669	3.5008	2.7669
C3	2.5191	1.3558		3.8064	3.8064	2.7319	2.1240	1.0948	1.0969	4.5603	4.0144	4.5603	4.0144
C4	1.5297	2.5997	3.8064		1.5199	2.2424	2.8190	4.6866	4.1766	1.0940	1.0949	2.2542	2.2500
C5	1.5297	2.5997	3.8064	1.5199		2.2424	2.8190	4.6866	4.1766	2.2542	2.2500	1.0940	1.0949
H6	1.0964	2.1950	2.7319	2.2424	2.2424		3.1437	3.8225	2.5439	2.5225	3.1323	2.5225	3.1323
H7	2.2061	1.1007	2.1240	2.8190	2.8190	3.1437		2.4640	3.1099	3.8575	2.6016	3.8575	2.6016
H8	3.5130	2.1401	1.0948	4.6866	4.6866	3.8225	2.4640		1.8728	5.5069	4.7071	5.5069	4.7071
H9	2.7854	2.1413	1.0969	4.1766	4.1766	2.5439	3.1099	1.8728		4.7302	4.5958	4.7302	4.5958
H10	2.2554	3.5008	4.5603	1.0940	2.2542	2.5225	3.8575	5.5069	4.7302		1.8466	2.5557	3.1474
H11	2.2496	2.7669	4.0144	1.0949	2.2500	3.1323	2.6016	4.7071	4.5958	1.8466		3.1474	2.5420
H12	2.2554	3.5008	4.5603	2.2542	1.0940	2.5225	3.8575	5.5069	4.7302	2.5557	3.1474		1.8466
H13	2.2496	2.7669	4.0144	2.2500	1.0949	3.1323	2.6016	4.7071	4.5958	3.1474	2.5420	1.8466

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.615	C1	C2	H7	116.069
C1	C4	C5	60.211	C1	C4	H10	117.594
C1	C4	H11	117.027	C1	C5	C4	60.211
C1	C5	H12	117.594	C1	C5	H13	117.027
C2	C1	C4	118.942	C2	C1	C5	118.942
C2	C1	H6	115.411	C2	C3	H8	121.323
C2	C3	H9	121.267	C3	C2	H7	119.316
C4	C1	H6	116.300	C4	C5	H12	118.256
C4	C5	H13	117.823	C5	C1	H6	116.300
C5	C4	H10	118.256	C5	C4	H11	117.823
H8	C3	H9	117.410	H10	C4	H11	115.042
H12	C5	H13	115.042

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: QCISD(T)=FULL/aug-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: QCISD(T)=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)