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	hartrees
Energy at 0K	-194.598973
Energy at 298.15K	-194.608221
HF Energy	-193.926312
Nuclear repulsion energy	176.472447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3273	3084	14.78
2	A'	3249	3061	9.21
3	A'	3190	3006	39.28
4	A'	3170	2987	14.84
5	A'	3117	2937	46.09
6	A'	1569	1478	0.90
7	A'	1543	1454	2.52
8	A'	1419	1337	0.30
9	A'	1292	1217	1.38
10	A'	1252	1179	0.26
11	A'	1170	1102	0.52
12	A'	1069	1007	0.03
13	A'	1018	959	2.97
14	A'	981	924	8.23
15	A'	944	890	1.05
16	A'	817	770	0.50
17	A'	811	764	8.13
18	A'	426	401	0.72
19	A"	3241	3053	16.43
20	A"	3174	2991	0.12
21	A"	3111	2931	39.20
22	A"	1542	1453	0.18
23	A"	1351	1273	5.71
24	A"	1300	1225	1.81
25	A"	1260	1187	0.03
26	A"	1160	1093	0.08
27	A"	1118	1053	4.64
28	A"	1093	1030	0.08
29	A"	1033	974	4.27
30	A"	965	909	0.32
31	A"	831	783	13.85
32	A"	692	652	0.19
33	A"	263	248	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	-0.246	-0.538	0.761
C2	-0.246	-0.538	-0.761
C3	-0.246	0.988	0.780
C4	-0.246	0.988	-0.780
C5	0.943	-1.035	0.000
H6	-0.796	-1.179	1.444
H7	-0.796	-1.179	-1.444
H8	0.609	1.458	1.278
H9	0.609	1.458	-1.278
H10	-1.167	1.411	1.189
H11	-1.167	1.411	-1.189
H12	1.872	-0.466	0.000
H13	1.080	-2.113	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5221	1.5261	2.1687	1.4967	1.0863	2.3614	2.2323	2.9790	2.1976	2.9069	2.2517	2.1950
C2	1.5221		2.1687	1.5261	1.4967	2.3614	1.0863	2.9790	2.2323	2.9069	2.1976	2.2517	2.1950
C3	1.5261	2.1687		1.5598	2.4731	2.3324	3.1536	1.0958	2.2778	1.0929	2.2146	2.6851	3.4618
C4	2.1687	1.5261	1.5598		2.4731	3.1536	2.3324	2.2778	1.0958	2.2146	1.0929	2.6851	3.4618
C5	1.4967	1.4967	2.4731	2.4731		2.2648	2.2648	2.8219	2.8219	3.4424	3.4424	1.0896	1.0865
H6	1.0863	2.3614	2.3324	3.1536	2.2648		2.8881	2.9928	4.0424	2.6289	3.7122	3.1162	2.5446
H7	2.3614	1.0863	3.1536	2.3324	2.2648	2.8881		4.0424	2.9928	3.7122	2.6289	3.1162	2.5446
H8	2.2323	2.9790	1.0958	2.2778	2.8219	2.9928	4.0424		2.5565	1.7789	3.0406	2.6329	3.8224
H9	2.9790	2.2323	2.2778	1.0958	2.8219	4.0424	2.9928	2.5565		3.0406	1.7789	2.6329	3.8224
H10	2.1976	2.9069	1.0929	2.2146	3.4424	2.6289	3.7122	1.7789	3.0406		2.3785	3.7648	4.3453
H11	2.9069	2.1976	2.2146	1.0929	3.4424	3.7122	2.6289	3.0406	1.7789	2.3785		3.7648	4.3453
H12	2.2517	2.2517	2.6851	2.6851	1.0896	3.1162	3.1162	2.6329	2.6329	3.7648	3.7648		1.8277
H13	2.1950	2.1950	3.4618	3.4618	1.0865	2.5446	2.5446	3.8224	3.8224	4.3453	4.3453	1.8277

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.708	C1	C2	C5	59.437
C1	C2	H7	128.958	C1	C3	C4	89.292
C1	C3	H8	115.758	C1	C3	H10	113.052
C1	C5	C2	61.126	C1	C5	H12	120.247
C1	C5	H13	115.449	C2	C1	C3	90.708
C2	C1	C5	59.437	C2	C1	H6	128.958
C2	C4	C3	89.292	C2	C4	H9	115.758
C2	C4	H11	113.052	C2	C5	H12	120.247
C2	C5	H13	115.449	C3	C1	C5	109.798
C3	C1	H6	125.625	C3	C4	H9	117.052
C3	C4	H11	111.997	C4	C2	C5	109.798
C4	C2	H7	125.625	C4	C3	H8	117.052
C4	C3	H10	111.997	C5	C1	H6	121.705
C5	C2	H7	121.705	H8	C3	H10	108.740
H9	C4	H11	108.740	H12	C5	H13	114.260

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)