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	hartrees
Energy at 0K	-194.664964
Energy at 298.15K	-194.674223
HF Energy	-193.939963
Nuclear repulsion energy	176.788202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3308	3091	15.38
2	A'	3283	3067	9.56
3	A'	3223	3012	41.44
4	A'	3198	2988	16.16
5	A'	3145	2939	48.53
6	A'	1566	1463	0.78
7	A'	1545	1443	1.43
8	A'	1420	1327	0.82
9	A'	1293	1208	0.92
10	A'	1251	1169	0.23
11	A'	1170	1093	0.52
12	A'	1068	998	0.04
13	A'	1018	951	3.10
14	A'	984	919	7.38
15	A'	944	882	0.74
16	A'	815	761	2.45
17	A'	810	756	5.24
18	A'	424	396	0.55
19	A"	3273	3059	16.81
20	A"	3207	2997	0.07
21	A"	3138	2932	41.17
22	A"	1537	1437	0.01
23	A"	1354	1265	4.37
24	A"	1299	1214	1.38
25	A"	1261	1178	0.01
26	A"	1157	1081	0.10
27	A"	1122	1048	3.53
28	A"	1098	1026	0.01
29	A"	1033	965	3.93
30	A"	964	901	0.31
31	A"	832	777	12.46
32	A"	688	643	0.15
33	A"	260	243	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	-0.246	-0.538	0.762
C2	-0.246	-0.538	-0.762
C3	-0.246	0.986	0.778
C4	-0.246	0.986	-0.778
C5	0.943	-1.031	0.000
H6	-0.788	-1.180	1.442
H7	-0.788	-1.180	-1.442
H8	0.605	1.454	1.274
H9	0.605	1.454	-1.274
H10	-1.163	1.410	1.183
H11	-1.163	1.410	-1.183
H12	1.862	-0.456	0.000
H13	1.083	-2.102	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5250	1.5244	2.1675	1.4964	1.0799	2.3590	2.2258	2.9734	2.1934	2.9015	2.2438	2.1897
C2	1.5250		2.1675	1.5244	1.4964	2.3590	1.0799	2.9734	2.2258	2.9015	2.1934	2.2438	2.1897
C3	1.5244	2.1675		1.5568	2.4675	2.3288	3.1487	1.0905	2.2709	1.0875	2.2058	2.6705	3.4512
C4	2.1675	1.5244	1.5568		2.4675	3.1487	2.3288	2.2709	1.0905	2.2058	1.0875	2.6705	3.4512
C5	1.4964	1.4964	2.4675	2.4675		2.2579	2.2579	2.8125	2.8125	3.4337	3.4337	1.0839	1.0806
H6	1.0799	2.3590	2.3288	3.1487	2.2579		2.8845	2.9834	4.0314	2.6292	3.7062	3.1025	2.5359
H7	2.3590	1.0799	3.1487	2.3288	2.2579	2.8845		4.0314	2.9834	3.7062	2.6292	3.1025	2.5359
H8	2.2258	2.9734	1.0905	2.2709	2.8125	2.9834	4.0314		2.5487	1.7706	3.0272	2.6175	3.8074
H9	2.9734	2.2258	2.2709	1.0905	2.8125	4.0314	2.9834	2.5487		3.0272	1.7706	2.6175	3.8074
H10	2.1934	2.9015	1.0875	2.2058	3.4337	2.6292	3.7062	1.7706	3.0272		2.3655	3.7457	4.3332
H11	2.9015	2.1934	2.2058	1.0875	3.4337	3.7062	2.6292	3.0272	1.7706	2.3655		3.7457	4.3332
H12	2.2438	2.2438	2.6705	2.6705	1.0839	3.1025	3.1025	2.6175	2.6175	3.7457	3.7457		1.8215
H13	2.1897	2.1897	3.4512	3.4512	1.0806	2.5359	2.5359	3.8074	3.8074	4.3332	4.3332	1.8215

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.598	C1	C2	C5	59.367
C1	C2	H7	129.011	C1	C3	C4	89.402
C1	C3	H8	115.687	C1	C3	H10	113.169
C1	C5	C2	61.267	C1	C5	H12	119.969
C1	C5	H13	115.410	C2	C1	C3	90.598
C2	C1	C5	59.367	C2	C1	H6	129.011
C2	C4	C3	89.402	C2	C4	H9	115.687
C2	C4	H11	113.169	C2	C5	H12	119.969
C2	C5	H13	115.410	C3	C1	C5	109.534
C3	C1	H6	125.961	C3	C4	H9	117.050
C3	C4	H11	111.827	C4	C2	C5	109.534
C4	C2	H7	125.961	C4	C3	H8	117.050
C4	C3	H10	111.827	C5	C1	H6	121.583
C5	C2	H7	121.583	H8	C3	H10	108.763
H9	C4	H11	108.763	H12	C5	H13	114.597

All results from a given calculation for C₅H₈ (Bicyclo[2.1.0]pentane)

using model chemistry: MP2=FULL/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 (Bicyclo[2.1.0]pentane)

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

States and conformations

All results from a given calculation for C₅H₈ (Bicyclo[2.1.0]pentane)