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	hartrees
Energy at 0K	-194.692016
Energy at 298.15K	-194.700194
HF Energy	-193.954032
Nuclear repulsion energy	161.754758

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	3130	16.99
2	A'	3269	3127	14.07
3	A'	3191	3053	8.40
4	A'	3180	3042	2.27
5	A'	3172	3035	11.79
6	A'	3163	3026	7.85
7	A'	1742	1666	14.43
8	A'	1528	1462	1.07
9	A'	1476	1412	0.11
10	A'	1370	1310	0.72
11	A'	1316	1259	3.78
12	A'	1244	1190	2.03
13	A'	1234	1180	2.30
14	A'	1077	1030	1.14
15	A'	1009	965	2.38
16	A'	983	940	30.20
17	A'	833	797	1.13
18	A'	773	739	0.22
19	A'	445	426	0.86
20	A'	267	256	1.02
21	A"	3255	3114	0.12
22	A"	3165	3028	15.59
23	A"	1468	1405	1.05
24	A"	1203	1151	0.65
25	A"	1138	1089	1.36
26	A"	1084	1037	2.91
27	A"	1018	974	10.66
28	A"	946	905	9.04
29	A"	923	883	34.04
30	A"	838	802	4.96
31	A"	673	644	4.43
32	A"	315	301	0.89
33	A"	116	111	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.393	0.292	0.000
C2	0.259	-1.047	0.000
C3	-0.402	-2.220	0.000
C4	0.259	1.442	0.756
C5	0.259	1.442	-0.756
H6	-1.489	0.272	0.000
H7	1.359	-1.048	0.000
H8	0.133	-3.176	0.000
H9	-1.499	-2.258	0.000
H10	-0.398	2.147	1.275
H11	1.204	1.234	1.270
H12	-0.398	2.147	-1.275
H13	1.204	1.234	-1.270

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4892	2.5115	1.5227	1.5227	1.0966	2.2057	3.5069	2.7793	2.2512	2.2472	2.2512	2.2472
C2	1.4892		1.3458	2.6014	2.6014	2.1904	1.1007	2.1319	2.1341	3.5016	2.7767	3.5016	2.7767
C3	2.5115	1.3458		3.7968	3.7968	2.7191	2.1157	1.0953	1.0972	4.5490	4.0150	4.5490	4.0150
C4	1.5227	2.6014	3.7968		1.5119	2.2348	2.8252	4.6805	4.1653	1.0948	1.0956	2.2484	2.2449
C5	1.5227	2.6014	3.7968	1.5119		2.2348	2.8252	4.6805	4.1653	2.2484	2.2449	1.0948	1.0956
H6	1.0966	2.1904	2.7191	2.2348	2.2348		3.1399	3.8106	2.5308	2.5159	3.1289	2.5159	3.1289
H7	2.2057	1.1007	2.1157	2.8252	2.8252	3.1399		2.4558	3.1038	3.8630	2.6161	3.8630	2.6161
H8	3.5069	2.1319	1.0953	4.6805	4.6805	3.8106	2.4558		1.8717	5.4988	4.7121	5.4988	4.7121
H9	2.7793	2.1341	1.0972	4.1653	4.1653	2.5308	3.1038	1.8717		4.7161	4.5948	4.7161	4.5948
H10	2.2512	3.5016	4.5490	1.0948	2.2484	2.5159	3.8630	5.4988	4.7161		1.8441	2.5507	3.1428
H11	2.2472	2.7767	4.0150	1.0956	2.2449	3.1289	2.6161	4.7121	4.5948	1.8441		3.1428	2.5392
H12	2.2512	3.5016	4.5490	2.2484	1.0948	2.5159	3.8630	5.4988	4.7161	2.5507	3.1428		1.8441
H13	2.2472	2.7767	4.0150	2.2449	1.0956	3.1289	2.6161	4.7121	4.5948	3.1428	2.5392	1.8441

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.646	C1	C2	H7	115.978
C1	C4	C5	60.234	C1	C4	H10	117.715
C1	C4	H11	117.303	C1	C5	C4	60.234
C1	C5	H12	117.715	C1	C5	H13	117.303
C2	C1	C4	119.466	C2	C1	C5	119.466
C2	C1	H6	114.946	C2	C3	H8	121.356
C2	C3	H9	121.414	C3	C2	H7	119.376
C4	C1	H6	116.170	C4	C5	H12	118.321
C4	C5	H13	117.957	C5	C1	H6	116.170
C5	C4	H10	118.321	C5	C4	H11	117.957
H8	C3	H9	117.231	H10	C4	H11	114.675
H12	C5	H13	114.675

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)