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	hartrees
Energy at 0K	-194.683122
Energy at 298.15K	-194.691353
HF Energy	-193.958817
Nuclear repulsion energy	163.257267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3336	3133	13.85
2	A'	3331	3129	12.18
3	A'	3240	3043	7.74
4	A'	3235	3038	3.51
5	A'	3228	3032	9.93
6	A'	3210	3015	9.18
7	A'	1719	1615	24.45
8	A'	1561	1466	1.25
9	A'	1509	1417	0.40
10	A'	1388	1304	1.28
11	A'	1339	1258	3.30
12	A'	1267	1190	4.44
13	A'	1255	1178	1.56
14	A'	1101	1034	4.34
15	A'	1031	968	3.56
16	A'	996	935	42.34
17	A'	852	801	1.64
18	A'	795	747	0.49
19	A'	450	422	1.12
20	A'	271	255	1.13
21	A"	3319	3117	0.10
22	A"	3223	3027	15.24
23	A"	1518	1426	1.18
24	A"	1233	1158	0.93
25	A"	1162	1091	2.60
26	A"	1106	1039	4.97
27	A"	1023	961	17.94
28	A"	948	890	9.13
29	A"	897	843	49.76
30	A"	859	807	6.76
31	A"	682	640	6.95
32	A"	322	303	1.47
33	A"	120	113	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.390	0.288	0.000
C2	0.257	-1.034	0.000
C3	-0.401	-2.204	0.000
C4	0.257	1.430	0.749
C5	0.257	1.430	-0.749
H6	-1.473	0.272	0.000
H7	1.344	-1.037	0.000
H8	0.127	-3.146	0.000
H9	-1.482	-2.239	0.000
H10	-0.391	2.126	1.262
H11	1.189	1.222	1.256
H12	-0.391	2.126	-1.262
H13	1.189	1.222	-1.256

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4723	2.4917	1.5115	1.5115	1.0831	2.1822	3.4724	2.7531	2.2292	2.2231	2.2292	2.2231
C2	1.4723		1.3419	2.5757	2.5757	2.1681	1.0868	2.1154	2.1159	3.4637	2.7450	3.4637	2.7450
C3	2.4917	1.3419		3.7681	3.7681	2.6980	2.0992	1.0798	1.0817	4.5095	3.9798	4.5095	3.9798
C4	1.5115	2.5757	3.7681		1.4986	2.2127	2.7977	4.6385	4.1292	1.0800	1.0806	2.2245	2.2208
C5	1.5115	2.5757	3.7681	1.4986		2.2127	2.7977	4.6385	4.1292	2.2245	2.2208	1.0800	1.0806
H6	1.0831	2.1681	2.6980	2.2127	2.2127		3.1063	3.7739	2.5115	2.4898	3.0926	2.4898	3.0926
H7	2.1822	1.0868	2.0992	2.7977	2.7977	3.1063		2.4350	3.0713	3.8213	2.5889	3.8213	2.5889
H8	3.4724	2.1154	1.0798	4.6385	4.6385	3.7739	2.4350		1.8467	5.4450	4.6669	5.4450	4.6669
H9	2.7531	2.1159	1.0817	4.1292	4.1292	2.5115	3.0713	1.8467		4.6730	4.5486	4.6730	4.5486
H10	2.2292	3.4637	4.5095	1.0800	2.2245	2.4898	3.8213	5.4450	4.6730		1.8198	2.5237	3.1065
H11	2.2231	2.7450	3.9798	1.0806	2.2208	3.0926	2.5889	4.6669	4.5486	1.8198		3.1065	2.5118
H12	2.2292	3.4637	4.5095	2.2245	1.0800	2.4898	3.8213	5.4450	4.6730	2.5237	3.1065		1.8198
H13	2.2231	2.7450	3.9798	2.2208	1.0806	3.0926	2.5889	4.6669	4.5486	3.1065	2.5118	1.8198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.542	C1	C2	H7	116.212
C1	C4	C5	60.281	C1	C4	H10	117.713
C1	C4	H11	117.132	C1	C5	C4	60.281
C1	C5	H12	117.713	C1	C5	H13	117.132
C2	C1	C4	119.358	C2	C1	C5	119.358
C2	C1	H6	115.247	C2	C3	H8	121.361
C2	C3	H9	121.260	C3	C2	H7	119.245
C4	C1	H6	116.058	C4	C5	H12	118.331
C4	C5	H13	117.957	C5	C1	H6	116.058
C5	C4	H10	118.331	C5	C4	H11	117.957
H8	C3	H9	117.379	H10	C4	H11	114.754
H12	C5	H13	114.754

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: MP2=FULL/6-31+G**

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: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)