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	hartrees
Energy at 0K	-194.626105
Energy at 298.15K	-194.634318
HF Energy	-193.938870
Nuclear repulsion energy	162.714346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3268	3094	28.05
2	A'	3268	3093	9.16
3	A'	3189	3018	7.41
4	A'	3186	3016	4.04
5	A'	3181	3010	13.40
6	A'	3159	2990	9.60
7	A'	1760	1666	12.10
8	A'	1569	1485	1.31
9	A'	1511	1430	0.20
10	A'	1402	1327	0.55
11	A'	1351	1278	3.52
12	A'	1271	1203	2.20
13	A'	1261	1194	1.46
14	A'	1115	1055	2.11
15	A'	1037	981	4.03
16	A'	999	945	30.01
17	A'	850	805	0.96
18	A'	795	752	0.27
19	A'	452	428	0.87
20	A'	274	260	0.99
21	A"	3255	3081	0.12
22	A"	3175	3005	17.67
23	A"	1520	1439	1.39
24	A"	1236	1170	0.62
25	A"	1169	1106	1.44
26	A"	1117	1057	4.18
27	A"	1022	968	12.12
28	A"	969	917	7.69
29	A"	921	872	41.52
30	A"	862	816	6.34
31	A"	681	645	4.32
32	A"	319	302	1.14
33	A"	113	107	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.387	0.291	0.000
C2	0.258	-1.045	0.000
C3	-0.404	-2.207	0.000
C4	0.258	1.435	0.751
C5	0.258	1.435	-0.751
H6	-1.476	0.272	0.000
H7	1.351	-1.049	0.000
H8	0.117	-3.161	0.000
H9	-1.492	-2.247	0.000
H10	-0.393	2.134	1.270
H11	1.195	1.234	1.264
H12	-0.393	2.134	-1.270
H13	1.195	1.234	-1.264

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4829	2.4974	1.5123	1.5123	1.0899	2.1944	3.4881	2.7678	2.2385	2.2342	2.2385	2.2342
C2	1.4829		1.3369	2.5906	2.5906	2.1774	1.0933	2.1205	2.1226	3.4844	2.7699	3.4844	2.7699
C3	2.4974	1.3369		3.7762	3.7762	2.7008	2.1020	1.0871	1.0888	4.5226	3.9995	4.5226	3.9995
C4	1.5123	2.5906	3.7762		1.5012	2.2185	2.8159	4.6584	4.1445	1.0873	1.0878	2.2352	2.2315
C5	1.5123	2.5906	3.7762	1.5012		2.2185	2.8159	4.6584	4.1445	2.2352	2.2315	1.0873	1.0878
H6	1.0899	2.1774	2.7008	2.2185	2.2185		3.1209	3.7847	2.5189	2.5009	3.1085	2.5009	3.1085
H7	2.1944	1.0933	2.1020	2.8159	2.8159	3.1209		2.4454	3.0847	3.8455	2.6149	3.8455	2.6149
H8	3.4881	2.1205	1.0871	4.6584	4.6584	3.7847	2.4454		1.8506	5.4687	4.6986	5.4687	4.6986
H9	2.7678	2.1226	1.0888	4.1445	4.1445	2.5189	3.0847	1.8506		4.6917	4.5758	4.6917	4.5758
H10	2.2385	3.4844	4.5226	1.0873	2.2352	2.5009	3.8455	5.4687	4.6917		1.8252	2.5408	3.1235
H11	2.2342	2.7699	3.9995	1.0878	2.2315	3.1085	2.6149	4.6986	4.5758	1.8252		3.1235	2.5287
H12	2.2385	3.4844	4.5226	2.2352	1.0873	2.5009	3.8455	5.4687	4.6917	2.5408	3.1235		1.8252
H13	2.2342	2.7699	3.9995	2.2315	1.0878	3.1085	2.6149	4.6986	4.5758	3.1235	2.5287	1.8252

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.590	C1	C2	H7	115.992
C1	C4	C5	60.242	C1	C4	H10	117.963
C1	C4	H11	117.540	C1	C5	C4	60.242
C1	C5	H12	117.963	C1	C5	H13	117.540
C2	C1	C4	119.745	C2	C1	C5	119.745
C2	C1	H6	114.770	C2	C3	H8	121.702
C2	C3	H9	121.771	C3	C2	H7	119.418
C4	C1	H6	116.039	C4	C5	H12	118.561
C4	C5	H13	118.183	C5	C1	H6	116.039
C5	C4	H10	118.561	C5	C4	H11	118.183
H8	C3	H9	116.527	H10	C4	H11	114.096
H12	C5	H13	114.096

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: CCD/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)