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	hartrees
Energy at 0K	-194.687511
Energy at 298.15K	-194.696698
HF Energy	-193.938829
Nuclear repulsion energy	174.810037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3103	22.15
2	A'	3215	3084	5.88
3	A'	3147	3019	50.17
4	A'	3129	3002	18.41
5	A'	3079	2954	55.17
6	A'	1509	1448	1.13
7	A'	1494	1433	1.46
8	A'	1382	1326	0.87
9	A'	1267	1216	0.68
10	A'	1218	1169	0.04
11	A'	1135	1089	0.52
12	A'	1036	994	0.24
13	A'	994	954	2.66
14	A'	958	919	6.43
15	A'	917	880	0.45
16	A'	789	757	0.71
17	A'	778	746	7.63
18	A'	415	399	0.44
19	A"	3206	3076	18.64
20	A"	3129	3002	0.19
21	A"	3069	2944	46.68
22	A"	1478	1418	0.07
23	A"	1325	1271	3.82
24	A"	1264	1213	0.43
25	A"	1226	1176	0.03
26	A"	1130	1084	0.00
27	A"	1093	1048	2.37
28	A"	1061	1018	0.26
29	A"	1001	960	3.47
30	A"	944	905	0.14
31	A"	810	777	13.30
32	A"	692	664	0.02
33	A"	261	250	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	-0.249	-0.544	0.772
C2	-0.249	-0.544	-0.772
C3	-0.249	0.996	0.785
C4	-0.249	0.996	-0.785
C5	0.953	-1.042	0.000
H6	-0.799	-1.193	1.461
H7	-0.799	-1.193	-1.461
H8	0.616	1.470	1.286
H9	0.616	1.470	-1.286
H10	-1.178	1.425	1.196
H11	-1.178	1.425	-1.196
H12	1.886	-0.459	0.000
H13	1.091	-2.129	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5441	1.5402	2.1903	1.5128	1.0949	2.3900	2.2513	3.0067	2.2183	2.9351	2.2714	2.2146
C2	1.5441		2.1903	1.5402	1.5128	2.3900	1.0949	3.0067	2.2513	2.9351	2.2183	2.2714	2.2146
C3	1.5402	2.1903		1.5706	2.4930	2.3562	3.1847	1.1058	2.2942	1.1029	2.2302	2.7002	3.4900
C4	2.1903	1.5402	1.5706		2.4930	3.1847	2.3562	2.2942	1.1058	2.2302	1.1029	2.7002	3.4900
C5	1.5128	1.5128	2.4930	2.4930		2.2865	2.2865	2.8422	2.8422	3.4726	3.4726	1.0995	1.0960
H6	1.0949	2.3900	2.3562	3.1847	2.2865		2.9230	3.0204	4.0795	2.6587	3.7498	3.1433	2.5661
H7	2.3900	1.0949	3.1847	2.3562	2.2865	2.9230		4.0795	3.0204	3.7498	2.6587	3.1433	2.5661
H8	2.2513	3.0067	1.1058	2.2942	2.8422	3.0204	4.0795		2.5724	1.7966	3.0629	2.6439	3.8516
H9	3.0067	2.2513	2.2942	1.1058	2.8422	4.0795	3.0204	2.5724		3.0629	1.7966	2.6439	3.8516
H10	2.2183	2.9351	1.1029	2.2302	3.4726	2.6587	3.7498	1.7966	3.0629		2.3921	3.7906	4.3833
H11	2.9351	2.2183	2.2302	1.1029	3.4726	3.7498	2.6587	3.0629	1.7966	2.3921		3.7906	4.3833
H12	2.2714	2.2714	2.7002	2.7002	1.0995	3.1433	3.1433	2.6439	2.6439	3.7906	3.7906		1.8491
H13	2.2146	2.2146	3.4900	3.4900	1.0960	2.5661	2.5661	3.8516	3.8516	4.3833	4.3833	1.8491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.494	C1	C2	C5	59.315
C1	C2	H7	129.027	C1	C3	C4	89.506
C1	C3	H8	115.626	C1	C3	H10	113.089
C1	C5	C2	61.370	C1	C5	H12	119.967
C1	C5	H13	115.252	C2	C1	C3	90.494
C2	C1	C5	59.315	C2	C1	H6	129.027
C2	C4	C3	89.506	C2	C4	H9	115.626
C2	C4	H11	113.089	C2	C5	H12	119.967
C2	C5	H13	115.252	C3	C1	C5	109.480
C3	C1	H6	125.958	C3	C4	H9	116.934
C3	C4	H11	111.865	C4	C2	C5	109.480
C4	C2	H7	125.958	C4	C3	H8	116.934
C4	C3	H10	111.865	C5	C1	H6	121.693
C5	C2	H7	121.693	H8	C3	H10	108.863
H9	C4	H11	108.863	H12	C5	H13	114.752

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

using model chemistry: QCISD/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 (Bicyclo[2.1.0]pentane)

using model chemistry: QCISD/cc-pVDZ

States and conformations

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