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	hartrees
Energy at 0K	-194.683316
Energy at 298.15K	-194.692521
HF Energy	-193.939002
Nuclear repulsion energy	174.908842

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3104	20.25
2	A'	3224	3085	6.30
3	A'	3159	3022	47.22
4	A'	3138	3002	17.49
5	A'	3090	2956	52.65
6	A'	1513	1448	1.32
7	A'	1498	1433	1.50
8	A'	1388	1328	0.68
9	A'	1272	1217	0.75
10	A'	1222	1169	0.04
11	A'	1139	1090	0.53
12	A'	1041	995	0.24
13	A'	998	955	2.55
14	A'	963	922	6.66
15	A'	922	882	0.32
16	A'	792	758	1.48
17	A'	783	749	6.98
18	A'	417	399	0.47
19	A"	3215	3076	17.40
20	A"	3141	3005	0.13
21	A"	3080	2946	44.55
22	A"	1481	1416	0.11
23	A"	1330	1272	4.11
24	A"	1268	1214	0.44
25	A"	1229	1176	0.02
26	A"	1134	1085	0.00
27	A"	1098	1050	2.43
28	A"	1066	1020	0.33
29	A"	1005	961	3.56
30	A"	946	905	0.16
31	A"	814	779	13.43
32	A"	694	664	0.03
33	A"	262	250	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	-0.249	-0.544	0.771
C2	-0.249	-0.544	-0.771
C3	-0.249	0.996	0.785
C4	-0.249	0.996	-0.785
C5	0.953	-1.041	0.000
H6	-0.799	-1.192	1.460
H7	-0.799	-1.192	-1.460
H8	0.615	1.470	1.286
H9	0.615	1.470	-1.286
H10	-1.178	1.425	1.196
H11	-1.178	1.425	-1.196
H12	1.885	-0.459	0.000
H13	1.091	-2.128	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5418	1.5396	2.1889	1.5118	1.0945	2.3872	2.2506	3.0050	2.2174	2.9333	2.2702	2.2134
C2	1.5418		2.1889	1.5396	1.5118	2.3872	1.0945	3.0050	2.2506	2.9333	2.2174	2.2702	2.2134
C3	1.5396	2.1889		1.5700	2.4921	2.3552	3.1828	1.1053	2.2932	1.1024	2.2294	2.6992	3.4886
C4	2.1889	1.5396	1.5700		2.4921	3.1828	2.3552	2.2932	1.1053	2.2294	1.1024	2.6992	3.4886
C5	1.5118	1.5118	2.4921	2.4921		2.2850	2.2850	2.8412	2.8412	3.4712	3.4712	1.0990	1.0955
H6	1.0945	2.3872	2.3552	3.1828	2.2850		2.9192	3.0195	4.0773	2.6574	3.7474	3.1418	2.5644
H7	2.3872	1.0945	3.1828	2.3552	2.2850	2.9192		4.0773	3.0195	3.7474	2.6574	3.1418	2.5644
H8	2.2506	3.0050	1.1053	2.2932	2.8412	3.0195	4.0773		2.5715	1.7958	3.0618	2.6430	3.8502
H9	3.0050	2.2506	2.2932	1.1053	2.8412	4.0773	3.0195	2.5715		3.0618	1.7958	2.6430	3.8502
H10	2.2174	2.9333	1.1024	2.2294	3.4712	2.6574	3.7474	1.7958	3.0618		2.3916	3.7891	4.3814
H11	2.9333	2.2174	2.2294	1.1024	3.4712	3.7474	2.6574	3.0618	1.7958	2.3916		3.7891	4.3814
H12	2.2702	2.2702	2.6992	2.6992	1.0990	3.1418	3.1418	2.6430	2.6430	3.7891	3.7891		1.8484
H13	2.2134	2.2134	3.4886	3.4886	1.0955	2.5644	2.5644	3.8502	3.8502	4.3814	4.3814	1.8484

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.524	C1	C2	C5	59.341
C1	C2	H7	128.992	C1	C3	C4	89.476
C1	C3	H8	115.641	C1	C3	H10	113.086
C1	C5	C2	61.318	C1	C5	H12	119.974
C1	C5	H13	115.258	C2	C1	C3	90.524
C2	C1	C5	59.341	C2	C1	H6	128.992
C2	C4	C3	89.476	C2	C4	H9	115.641
C2	C4	H11	113.086	C2	C5	H12	119.974
C2	C5	H13	115.258	C3	C1	C5	109.506
C3	C1	H6	125.949	C3	C4	H9	116.941
C3	C4	H11	111.878	C4	C2	C5	109.506
C4	C2	H7	125.949	C4	C3	H8	116.941
C4	C3	H10	111.878	C5	C1	H6	121.675
C5	C2	H7	121.675	H8	C3	H10	108.859
H9	C4	H11	108.859	H12	C5	H13	114.756

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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