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	hartrees
Energy at 0K	-194.708215
Energy at 298.15K	-194.716389
HF Energy	-193.954097
Nuclear repulsion energy	161.812753

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	3270	17.72
2	A'	3267	3267	14.39
3	A'	3190	3190	8.31
4	A'	3178	3178	2.21
5	A'	3171	3171	13.15
6	A'	3162	3162	7.94
7	A'	1734	1734	17.00
8	A'	1526	1526	1.12
9	A'	1475	1475	0.11
10	A'	1367	1367	0.79
11	A'	1314	1314	3.63
12	A'	1244	1244	2.23
13	A'	1232	1232	2.35
14	A'	1074	1074	1.13
15	A'	1008	1008	2.54
16	A'	981	981	30.54
17	A'	832	832	1.21
18	A'	771	771	0.23
19	A'	444	444	0.89
20	A'	267	267	1.06
21	A"	3253	3253	0.12
22	A"	3164	3164	16.49
23	A"	1467	1467	1.00
24	A"	1202	1202	0.65
25	A"	1137	1137	1.36
26	A"	1081	1081	2.93
27	A"	1017	1017	10.67
28	A"	942	942	9.34
29	A"	917	917	33.40
30	A"	837	837	5.17
31	A"	673	673	4.25
32	A"	315	315	0.86
33	A"	117	117	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.394	0.292	0.000
C2	0.258	-1.046	0.000
C3	-0.401	-2.220	0.000
C4	0.258	1.441	0.756
C5	0.258	1.441	-0.756
H6	-1.489	0.272	0.000
H7	1.358	-1.045	0.000
H8	0.135	-3.174	0.000
H9	-1.497	-2.260	0.000
H10	-0.398	2.146	1.275
H11	1.203	1.233	1.269
H12	-0.398	2.146	-1.275
H13	1.203	1.233	-1.269

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4878	2.5117	1.5223	1.5223	1.0959	2.2038	3.5061	2.7799	2.2502	2.2462	2.2502	2.2462
C2	1.4878		1.3469	2.5990	2.5990	2.1889	1.1000	2.1323	2.1345	3.4989	2.7738	3.4989	2.7738
C3	2.5117	1.3469		3.7960	3.7960	2.7194	2.1158	1.0947	1.0966	4.5483	4.0131	4.5483	4.0131
C4	1.5223	2.5990	3.7960		1.5114	2.2344	2.8217	4.6785	4.1653	1.0941	1.0950	2.2474	2.2440
C5	1.5223	2.5990	3.7960	1.5114		2.2344	2.8217	4.6785	4.1653	2.2474	2.2440	1.0941	1.0950
H6	1.0959	2.1889	2.7194	2.2344	2.2344		3.1377	3.8101	2.5320	2.5155	3.1276	2.5155	3.1276
H7	2.2038	1.1000	2.1158	2.8217	2.8217	3.1377		2.4556	3.1031	3.8591	2.6122	3.8591	2.6122
H8	3.5061	2.1323	1.0947	4.6785	4.6785	3.8101	2.4556		1.8708	5.4968	4.7088	5.4968	4.7088
H9	2.7799	2.1345	1.0966	4.1653	4.1653	2.5320	3.1031	1.8708		4.7164	4.5933	4.7164	4.5933
H10	2.2502	3.4989	4.5483	1.0941	2.2474	2.5155	3.8591	5.4968	4.7164		1.8429	2.5497	3.1414
H11	2.2462	2.7738	4.0131	1.0950	2.2440	3.1276	2.6122	4.7088	4.5933	1.8429		3.1414	2.5384
H12	2.2502	3.4989	4.5483	2.2474	1.0941	2.5155	3.8591	5.4968	4.7164	2.5497	3.1414		1.8429
H13	2.2462	2.7738	4.0131	2.2440	1.0950	3.1276	2.6122	4.7088	4.5933	3.1414	2.5384	1.8429

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.684	C1	C2	H7	115.966
C1	C4	C5	60.236	C1	C4	H10	117.709
C1	C4	H11	117.299	C1	C5	C4	60.236
C1	C5	H12	117.709	C1	C5	H13	117.299
C2	C1	C4	119.398	C2	C1	C5	119.398
C2	C1	H6	114.972	C2	C3	H8	121.345
C2	C3	H9	121.405	C3	C2	H7	119.350
C4	C1	H6	116.218	C4	C5	H12	118.324
C4	C5	H13	117.964	C5	C1	H6	116.218
C5	C4	H10	118.324	C5	C4	H11	117.964
H8	C3	H9	117.250	H10	C4	H11	114.674
H12	C5	H13	114.674

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)