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	hartrees
Energy at 0K	-194.756630
Energy at 298.15K	-194.764679
HF Energy	-193.959514
Nuclear repulsion energy	161.221580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3230	3158
2	A'	3227	3156
3	A'	3149	3080
4	A'	3136	3067
5	A'	3130	3060
6	A'	3123	3054
7	A'	1675	1638
8	A'	1493	1459
9	A'	1455	1422
10	A'	1337	1307
11	A'	1295	1267
12	A'	1223	1196
13	A'	1202	1176
14	A'	1028	1005
15	A'	989	967
16	A'	950	929
17	A'	813	795
18	A'	750	734
19	A'	434	424
20	A'	261	255
21	A"	3213	3141
22	A"	3122	3053
23	A"	1449	1417
24	A"	1178	1151
25	A"	1105	1080
26	A"	1042	1019
27	A"	980	958
28	A"	899	879
29	A"	890	871
30	A"	813	795
31	A"	654	640
32	A"	307	300
33	A"	107	104

Atom	x (Å)	y (Å)	z (Å)
C1	-0.400	0.292	0.000
C2	0.260	-1.044	0.000
C3	-0.400	-2.230	0.000
C4	0.260	1.446	0.761
C5	0.260	1.446	-0.761
H6	-1.497	0.274	0.000
H7	1.362	-1.040	0.000
H8	0.141	-3.182	0.000
H9	-1.497	-2.270	0.000
H10	-0.397	2.153	1.277
H11	1.204	1.228	1.273
H12	-0.397	2.153	-1.277
H13	1.204	1.228	-1.273

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4900	2.5212	1.5317	1.5317	1.0973	2.2084	3.5160	2.7869	2.2575	2.2521	2.2575	2.2521
C2	1.4900		1.3568	2.6032	2.6032	2.1969	1.1016	2.1417	2.1426	3.5049	2.7706	3.5049	2.7706
C3	2.5212	1.3568		3.8106	3.8106	2.7337	2.1258	1.0958	1.0978	4.5649	4.0188	4.5649	4.0188
C4	1.5317	2.6032	3.8106		1.5216	2.2449	2.8228	4.6915	4.1802	1.0949	1.0958	2.2553	2.2528
C5	1.5317	2.6032	3.8106	1.5216		2.2449	2.8228	4.6915	4.1802	2.2553	2.2528	1.0949	1.0958
H6	1.0973	2.1969	2.7337	2.2449	2.2449		3.1465	3.8253	2.5447	2.5245	3.1351	2.5245	3.1351
H7	2.2084	1.1016	2.1258	2.8228	2.8228	3.1465		2.4660	3.1123	3.8622	2.6058	3.8622	2.6058
H8	3.5160	2.1417	1.0958	4.6915	4.6915	3.8253	2.4660		1.8748	5.5125	4.7123	5.5125	4.7123
H9	2.7869	2.1426	1.0978	4.1802	4.1802	2.5447	3.1123	1.8748		4.7338	4.5997	4.7338	4.5997
H10	2.2575	3.5049	4.5649	1.0949	2.2553	2.5245	3.8622	5.5125	4.7338		1.8486	2.5550	3.1501
H11	2.2521	2.7706	4.0188	1.0958	2.2528	3.1351	2.6058	4.7123	4.5997	1.8486		3.1501	2.5464
H12	2.2575	3.5049	4.5649	2.2553	1.0949	2.5245	3.8622	5.5125	4.7338	2.5550	3.1501		1.8486
H13	2.2521	2.7706	4.0188	2.2528	1.0958	3.1351	2.6058	4.7123	4.5997	3.1501	2.5464	1.8486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.590	C1	C2	H7	116.077
C1	C4	C5	60.219	C1	C4	H10	117.548
C1	C4	H11	117.025	C1	C5	C4	60.219
C1	C5	H12	117.548	C1	C5	H13	117.025
C2	C1	C4	118.962	C2	C1	C5	118.962
C2	C1	H6	115.394	C2	C3	H8	121.308
C2	C3	H9	121.240	C3	C2	H7	119.333
C4	C1	H6	116.298	C4	C5	H12	118.158
C4	C5	H13	117.882	C5	C1	H6	116.298
C5	C4	H10	118.158	C5	C4	H11	117.882
H8	C3	H9	117.453	H10	C4	H11	115.092
H12	C5	H13	115.092

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

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

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)