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	hartrees
Energy at 0K	-194.617582
Energy at 298.15K	-194.626842
HF Energy	-193.925982
Nuclear repulsion energy	175.941598

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3241	3067	23.33
2	A'	3224	3052	6.02
3	A'	3157	2988	48.01
4	A'	3146	2978	15.82
5	A'	3094	2929	47.57
6	A'	1564	1481	0.88
7	A'	1543	1460	2.40
8	A'	1421	1345	0.38
9	A'	1297	1227	1.32
10	A'	1249	1182	0.22
11	A'	1167	1105	0.43
12	A'	1068	1011	0.02
13	A'	1013	959	2.91
14	A'	984	931	7.60
15	A'	942	891	0.14
16	A'	814	771	2.26
17	A'	812	769	6.22
18	A'	427	404	0.58
19	A"	3216	3044	19.65
20	A"	3140	2972	0.18
21	A"	3087	2921	41.83
22	A"	1537	1455	0.16
23	A"	1356	1284	4.82
24	A"	1301	1232	1.34
25	A"	1256	1188	0.01
26	A"	1165	1103	0.01
27	A"	1126	1066	3.65
28	A"	1097	1039	0.35
29	A"	1026	971	3.99
30	A"	966	914	0.18
31	A"	825	781	14.29
32	A"	706	668	0.11
33	A"	269	255	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.246	-0.539	0.762
C2	-0.246	-0.539	-0.762
C3	-0.246	0.993	0.782
C4	-0.246	0.993	-0.782
C5	0.945	-1.043	0.000
H6	-0.800	-1.179	1.446
H7	-0.800	-1.179	-1.446
H8	0.610	1.465	1.282
H9	0.610	1.465	-1.282
H10	-1.168	1.418	1.194
H11	-1.168	1.418	-1.194
H12	1.879	-0.477	0.000
H13	1.080	-2.123	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5239	1.5327	2.1756	1.5009	1.0880	2.3645	2.2404	2.9876	2.2063	2.9167	2.2583	2.2017
C2	1.5239		2.1756	1.5327	1.5009	2.3645	1.0880	2.9876	2.2404	2.9167	2.2063	2.2583	2.2017
C3	1.5327	2.1756		1.5646	2.4851	2.3381	3.1610	1.0979	2.2838	1.0954	2.2219	2.7001	3.4760
C4	2.1756	1.5327	1.5646		2.4851	3.1610	2.3381	2.2838	1.0979	2.2219	1.0954	2.7001	3.4760
C5	1.5009	1.5009	2.4851	2.4851		2.2699	2.2699	2.8357	2.8357	3.4563	3.4563	1.0917	1.0888
H6	1.0880	2.3645	2.3381	3.1610	2.2699		2.8921	3.0010	4.0520	2.6355	3.7219	3.1237	2.5522
H7	2.3645	1.0880	3.1610	2.3381	2.2699	2.8921		4.0520	3.0010	3.7219	2.6355	3.1237	2.5522
H8	2.2404	2.9876	1.0979	2.2838	2.8357	3.0010	4.0520		2.5632	1.7814	3.0488	2.6500	3.8386
H9	2.9876	2.2404	2.2838	1.0979	2.8357	4.0520	3.0010	2.5632		3.0488	1.7814	2.6500	3.8386
H10	2.2063	2.9167	1.0954	2.2219	3.4563	2.6355	3.7219	1.7814	3.0488		2.3883	3.7819	4.3611
H11	2.9167	2.2063	2.2219	1.0954	3.4563	3.7219	2.6355	3.0488	1.7814	2.3883		3.7819	4.3611
H12	2.2583	2.2583	2.7001	2.7001	1.0917	3.1237	3.1237	2.6500	2.6500	3.7819	3.7819		1.8295
H13	2.2017	2.2017	3.4760	3.4760	1.0888	2.5522	2.5522	3.8386	3.8386	4.3611	4.3611	1.8295

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.762	C1	C2	C5	59.492
C1	C2	H7	128.958	C1	C3	C4	89.238
C1	C3	H8	115.807	C1	C3	H10	113.126
C1	C5	C2	61.016	C1	C5	H12	120.344
C1	C5	H13	115.545	C2	C1	C3	90.762
C2	C1	C5	59.492	C2	C1	H6	128.958
C2	C4	C3	89.238	C2	C4	H9	115.807
C2	C4	H11	113.126	C2	C5	H12	120.344
C2	C5	H13	115.545	C3	C1	C5	110.009
C3	C1	H6	125.440	C3	C4	H9	117.049
C3	C4	H11	112.083	C4	C2	C5	110.009
C4	C2	H7	125.440	C4	C3	H8	117.049
C4	C3	H10	112.083	C5	C1	H6	121.697
C5	C2	H7	121.697	H8	C3	H10	108.618
H9	C4	H11	108.618	H12	C5	H13	114.066

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

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 (Bicyclo[2.1.0]pentane)

using model chemistry: CCD/6-31G*

States and conformations

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