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	hartrees
Energy at 0K	-193.334820
Energy at 298.15K	-193.344007
HF Energy	-192.837271
Nuclear repulsion energy	173.316949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3237	3147	16.86
2	A'	3213	3124	3.89
3	A'	3136	3049	38.91
4	A'	3129	3042	10.85
5	A'	3076	2991	33.60
6	A'	1569	1525	1.55
7	A'	1542	1499	3.29
8	A'	1363	1325	0.12
9	A'	1261	1226	3.08
10	A'	1223	1189	0.48
11	A'	1124	1092	2.30
12	A'	1046	1017	0.35
13	A'	980	953	8.16
14	A'	958	932	0.92
15	A'	881	856	1.60
16	A'	787	765	1.60
17	A'	747	727	6.58
18	A'	432	420	0.79
19	A"	3219	3130	11.63
20	A"	3117	3031	0.03
21	A"	3066	2981	32.03
22	A"	1549	1506	0.59
23	A"	1313	1276	6.66
24	A"	1305	1269	2.81
25	A"	1254	1219	0.23
26	A"	1164	1132	3.14
27	A"	1138	1106	4.37
28	A"	1110	1079	1.16
29	A"	991	964	3.09
30	A"	940	914	0.63
31	A"	774	753	13.23
32	A"	707	688	0.24
33	A"	263	255	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	-0.255	-0.557	0.784
C2	-0.255	-0.557	-0.784
C3	-0.255	1.004	0.801
C4	-0.255	1.004	-0.801
C5	0.971	-1.037	0.000
H6	-0.793	-1.195	1.475
H7	-0.793	-1.195	-1.475
H8	0.612	1.467	1.289
H9	0.612	1.467	-1.289
H10	-1.183	1.428	1.202
H11	-1.183	1.428	-1.202
H12	1.879	-0.433	0.000
H13	1.137	-2.113	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5683	1.5616	2.2253	1.5326	1.0830	2.4083	2.2590	3.0242	2.2306	2.9574	2.2764	2.2298
C2	1.5683		2.2253	1.5616	1.5326	2.4083	1.0830	3.0242	2.2590	2.9574	2.2306	2.2764	2.2298
C3	1.5616	2.2253		1.6025	2.5123	2.3620	3.2104	1.0969	2.3095	1.0960	2.2482	2.6944	3.5065
C4	2.2253	1.5616	1.6025		2.5123	3.2104	2.3620	2.3095	1.0969	2.2482	1.0960	2.6944	3.5065
C5	1.5326	1.5326	2.5123	2.5123		2.3050	2.3050	2.8387	2.8387	3.4871	3.4871	1.0894	1.0888
H6	1.0830	2.4083	2.3620	3.2104	2.3050		2.9502	3.0152	4.0861	2.6652	3.7679	3.1450	2.5965
H7	2.4083	1.0830	3.2104	2.3620	2.3050	2.9502		4.0861	3.0152	3.7679	2.6652	3.1450	2.5965
H8	2.2590	3.0242	1.0969	2.3095	2.8387	3.0152	4.0861		2.5777	1.7975	3.0706	2.6222	3.8407
H9	3.0242	2.2590	2.3095	1.0969	2.8387	4.0861	3.0152	2.5777		3.0706	1.7975	2.6222	3.8407
H10	2.2306	2.9574	1.0960	2.2482	3.4871	2.6652	3.7679	1.7975	3.0706		2.4044	3.7790	4.4002
H11	2.9574	2.2306	2.2482	1.0960	3.4871	3.7679	2.6652	3.0706	1.7975	2.4044		3.7790	4.4002
H12	2.2764	2.2764	2.6944	2.6944	1.0894	3.1450	3.1450	2.6222	2.6222	3.7790	3.7790		1.8361
H13	2.2298	2.2298	3.5065	3.5065	1.0888	2.5965	2.5965	3.8407	3.8407	4.4002	4.4002	1.8361

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.626	C1	C2	C5	59.225
C1	C2	H7	129.642	C1	C3	C4	89.374
C1	C3	H8	115.248	C1	C3	H10	112.964
C1	C5	C2	61.550	C1	C5	H12	119.535
C1	C5	H13	115.516	C2	C1	C3	90.626
C2	C1	C5	59.225	C2	C1	H6	129.642
C2	C4	C3	89.374	C2	C4	H9	115.248
C2	C4	H11	112.964	C2	C5	H12	119.535
C2	C5	H13	115.516	C3	C1	C5	108.567
C3	C1	H6	125.564	C3	C4	H9	116.395
C3	C4	H11	111.458	C4	C2	C5	108.567
C4	C2	H7	125.564	C4	C3	H8	116.395
C4	C3	H10	111.458	C5	C1	H6	122.656
C5	C2	H7	122.656	H8	C3	H10	110.103
H9	C4	H11	110.103	H12	C5	H13	114.898

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

using model chemistry: CCD/3-21G

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/3-21G

States and conformations

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