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	hartrees
Energy at 0K	-194.700654
Energy at 298.15K	-194.708847
HF Energy	-193.954463
Nuclear repulsion energy	161.961321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3296	3099	16.15
2	A'	3293	3097	13.18
3	A'	3216	3024	8.03
4	A'	3202	3011	1.96
5	A'	3196	3005	10.87
6	A'	3187	2997	8.16
7	A'	1749	1644	17.42
8	A'	1531	1440	1.12
9	A'	1481	1392	0.12
10	A'	1374	1292	0.73
11	A'	1320	1241	3.63
12	A'	1248	1173	2.39
13	A'	1236	1162	2.34
14	A'	1076	1012	1.21
15	A'	1011	951	2.42
16	A'	986	927	32.07
17	A'	836	786	1.17
18	A'	775	728	0.22
19	A'	447	420	0.91
20	A'	268	252	1.12
21	A"	3279	3084	0.12
22	A"	3189	2998	14.75
23	A"	1472	1384	1.17
24	A"	1206	1134	0.70
25	A"	1140	1072	1.66
26	A"	1082	1018	3.16
27	A"	1025	964	10.39
28	A"	946	889	9.45
29	A"	923	868	34.96
30	A"	841	790	5.13
31	A"	677	637	4.51
32	A"	315	296	0.90
33	A"	118	111	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.393	0.291	0.000
C2	0.259	-1.046	0.000
C3	-0.401	-2.217	0.000
C4	0.259	1.440	0.756
C5	0.259	1.440	-0.756
H6	-1.487	0.272	0.000
H7	1.357	-1.045	0.000
H8	0.133	-3.170	0.000
H9	-1.496	-2.255	0.000
H10	-0.398	2.143	1.273
H11	1.202	1.232	1.267
H12	-0.398	2.143	-1.273
H13	1.202	1.232	-1.267

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4869	2.5076	1.5223	1.5223	1.0940	2.2020	3.5008	2.7738	2.2481	2.2442	2.2481	2.2442
C2	1.4869		1.3443	2.5982	2.5982	2.1870	1.0983	2.1283	2.1304	3.4960	2.7717	3.4960	2.7717
C3	2.5076	1.3443		3.7922	3.7922	2.7151	2.1127	1.0929	1.0949	4.5424	4.0086	4.5424	4.0086
C4	1.5223	2.5982	3.7922		1.5111	2.2326	2.8206	4.6737	4.1594	1.0923	1.0932	2.2453	2.2418
C5	1.5223	2.5982	3.7922	1.5111		2.2326	2.8206	4.6737	4.1594	2.2453	2.2418	1.0923	1.0932
H6	1.0940	2.1870	2.7151	2.2326	2.2326		3.1343	3.8042	2.5263	2.5124	3.1240	2.5124	3.1240
H7	2.2020	1.0983	2.1127	2.8206	2.8206	3.1343		2.4520	3.0982	3.8560	2.6107	3.8560	2.6107
H8	3.5008	2.1283	1.0929	4.6737	4.6737	3.8042	2.4520		1.8684	5.4898	4.7038	5.4898	4.7038
H9	2.7738	2.1304	1.0949	4.1594	4.1594	2.5263	3.0982	1.8684		4.7085	4.5866	4.7085	4.5866
H10	2.2481	3.4960	4.5424	1.0923	2.2453	2.5124	3.8560	5.4898	4.7085		1.8411	2.5467	3.1377
H11	2.2442	2.7717	4.0086	1.0932	2.2418	3.1240	2.6107	4.7038	4.5866	1.8411		3.1377	2.5349
H12	2.2481	3.4960	4.5424	2.2453	1.0923	2.5124	3.8560	5.4898	4.7085	2.5467	3.1377		1.8411
H13	2.2442	2.7717	4.0086	2.2418	1.0932	3.1240	2.6107	4.7038	4.5866	3.1377	2.5349	1.8411

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.597	C1	C2	H7	115.996
C1	C4	C5	60.243	C1	C4	H10	117.649
C1	C4	H11	117.251	C1	C5	C4	60.243
C1	C5	H12	117.649	C1	C5	H13	117.251
C2	C1	C4	119.396	C2	C1	C5	119.396
C2	C1	H6	115.007	C2	C3	H8	121.332
C2	C3	H9	121.376	C3	C2	H7	119.407
C4	C1	H6	116.195	C4	C5	H12	118.294
C4	C5	H13	117.919	C5	C1	H6	116.195
C5	C4	H10	118.294	C5	C4	H11	117.919
H8	C3	H9	117.292	H10	C4	H11	114.783
H12	C5	H13	114.783

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: MP3=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: MP3=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)