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	hartrees
Energy at 0K	-194.727021
Energy at 298.15K	-194.735146
HF Energy	-193.960545
Nuclear repulsion energy	161.593622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3249	3147	19.11
2	A'	3246	3144	17.44
3	A'	3171	3072	8.74
4	A'	3158	3059	1.89
5	A'	3150	3052	16.52
6	A'	3145	3047	6.27
7	A'	1709	1655	25.46
8	A'	1513	1465	1.24
9	A'	1470	1424	0.23
10	A'	1356	1313	1.18
11	A'	1312	1270	2.97
12	A'	1236	1198	3.41
13	A'	1219	1181	1.97
14	A'	1048	1015	1.66
15	A'	1001	969	1.56
16	A'	964	934	34.21
17	A'	823	797	1.52
18	A'	761	737	0.28
19	A'	440	427	1.00
20	A'	265	257	1.09
21	A"	3231	3130	0.18
22	A"	3143	3044	19.57
23	A"	1464	1418	0.88
24	A"	1191	1154	0.79
25	A"	1121	1086	1.62
26	A"	1063	1030	3.01
27	A"	1001	969	14.70
28	A"	921	892	7.71
29	A"	917	889	39.82
30	A"	825	799	4.88
31	A"	667	646	6.01
32	A"	312	302	0.87
33	A"	109	106	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.398	0.292	0.000
C2	0.259	-1.044	0.000
C3	-0.399	-2.224	0.000
C4	0.259	1.442	0.759
C5	0.259	1.442	-0.759
H6	-1.494	0.275	0.000
H7	1.358	-1.041	0.000
H8	0.140	-3.176	0.000
H9	-1.494	-2.266	0.000
H10	-0.396	2.149	1.276
H11	1.202	1.229	1.270
H12	-0.396	2.149	-1.276
H13	1.202	1.229	-1.270

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4894	2.5162	1.5264	1.5264	1.0953	2.2057	3.5097	2.7831	2.2525	2.2475	2.2525	2.2475
C2	1.4894		1.3507	2.5997	2.5997	2.1934	1.0996	2.1349	2.1368	3.5001	2.7692	3.5001	2.7692
C3	2.5162	1.3507		3.8013	3.8013	2.7281	2.1182	1.0940	1.0960	4.5549	4.0121	4.5549	4.0121
C4	1.5264	2.5997	3.8013		1.5171	2.2382	2.8202	4.6816	4.1714	1.0932	1.0940	2.2509	2.2473
C5	1.5264	2.5997	3.8013	1.5171		2.2382	2.8202	4.6816	4.1714	2.2509	2.2473	1.0932	1.0940
H6	1.0953	2.1934	2.7281	2.2382	2.2382		3.1411	3.8180	2.5409	2.5187	3.1288	2.5187	3.1288
H7	2.2057	1.0996	2.1182	2.8202	2.8202	3.1411		2.4576	3.1043	3.8576	2.6059	3.8576	2.6059
H8	3.5097	2.1349	1.0940	4.6816	4.6816	3.8180	2.4576		1.8706	5.5014	4.7053	5.5014	4.7053
H9	2.7831	2.1368	1.0960	4.1714	4.1714	2.5409	3.1043	1.8706		4.7248	4.5930	4.7248	4.5930
H10	2.2525	3.5001	4.5549	1.0932	2.2509	2.5187	3.8576	5.5014	4.7248		1.8437	2.5518	3.1434
H11	2.2475	2.7692	4.0121	1.0940	2.2473	3.1288	2.6059	4.7053	4.5930	1.8437		3.1434	2.5400
H12	2.2525	3.5001	4.5549	2.2509	1.0932	2.5187	3.8576	5.5014	4.7248	2.5518	3.1434		1.8437
H13	2.2475	2.7692	4.0121	2.2473	1.0940	3.1288	2.6059	4.7053	4.5930	3.1434	2.5400	1.8437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.669	C1	C2	H7	116.039
C1	C4	C5	60.202	C1	C4	H10	117.652
C1	C4	H11	117.157	C1	C5	C4	60.202
C1	C5	H12	117.652	C1	C5	H13	117.157
C2	C1	C4	119.083	C2	C1	C5	119.083
C2	C1	H6	115.276	C2	C3	H8	121.322
C2	C3	H9	121.346	C3	C2	H7	119.292
C4	C1	H6	116.263	C4	C5	H12	118.246
C4	C5	H13	117.871	C5	C1	H6	116.263
C5	C4	H10	118.246	C5	C4	H11	117.871
H8	C3	H9	117.332	H10	C4	H11	114.911
H12	C5	H13	114.911

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: QCISD/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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)