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	hartrees
Energy at 0K	-194.087313
Energy at 298.15K	-194.096326
Nuclear repulsion energy	172.887499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3151	3134	29.10
2	A'	3134	3117	0.75
3	A'	3063	3047	47.18
4	A'	3051	3035	15.36
5	A'	3000	2984	48.99
6	A'	1512	1503	1.18
7	A'	1485	1477	2.66
8	A'	1304	1297	0.52
9	A'	1199	1192	2.96
10	A'	1187	1180	0.19
11	A'	1086	1080	1.27
12	A'	1006	1001	0.03
13	A'	940	934	4.42
14	A'	904	899	7.33
15	A'	861	856	1.50
16	A'	756	752	2.14
17	A'	709	706	6.33
18	A'	414	412	1.04
19	A"	3132	3115	19.10
20	A"	3043	3026	0.17
21	A"	2991	2975	42.48
22	A"	1494	1486	0.33
23	A"	1259	1252	8.03
24	A"	1247	1240	0.39
25	A"	1209	1202	0.68
26	A"	1101	1095	1.64
27	A"	1063	1057	6.16
28	A"	1034	1029	1.35
29	A"	957	952	3.27
30	A"	908	903	0.14
31	A"	753	749	12.47
32	A"	676	672	0.16
33	A"	262	261	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	-0.253	-0.554	0.788
C2	-0.253	-0.554	-0.788
C3	-0.253	1.009	0.801
C4	-0.253	1.009	-0.801
C5	0.968	-1.050	0.000
H6	-0.799	-1.192	1.479
H7	-0.799	-1.192	-1.479
H8	0.617	1.474	1.289
H9	0.617	1.474	-1.289
H10	-1.184	1.434	1.203
H11	-1.184	1.434	-1.203
H12	1.890	-0.461	0.000
H13	1.111	-2.133	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5763	1.5621	2.2286	1.5358	1.0878	2.4180	2.2631	3.0308	2.2335	2.9632	2.2854	2.2309
C2	1.5763		2.2286	1.5621	1.5358	2.4180	1.0878	3.0308	2.2631	2.9632	2.2335	2.2854	2.2309
C3	1.5621	2.2286		1.6027	2.5237	2.3664	3.2158	1.1014	2.3119	1.0995	2.2505	2.7194	3.5173
C4	2.2286	1.5621	1.6027		2.5237	3.2158	2.3664	2.3119	1.1014	2.2505	1.0995	2.7194	3.5173
C5	1.5358	1.5358	2.5237	2.5237		2.3090	2.3090	2.8557	2.8557	3.4995	3.4995	1.0939	1.0927
H6	1.0878	2.4180	2.3664	3.2158	2.3090		2.9585	3.0254	4.0964	2.6682	3.7731	3.1551	2.5929
H7	2.4180	1.0878	3.2158	2.3664	2.3090	2.9585		4.0964	3.0254	3.7731	2.6682	3.1551	2.5929
H8	2.2631	3.0308	1.1014	2.3119	2.8557	3.0254	4.0964		2.5782	1.8043	3.0754	2.6508	3.8624
H9	3.0308	2.2631	2.3119	1.1014	2.8557	4.0964	3.0254	2.5782		3.0754	1.8043	2.6508	3.8624
H10	2.2335	2.9632	1.0995	2.2505	3.4995	2.6682	3.7731	1.8043	3.0754		2.4058	3.8063	4.4087
H11	2.9632	2.2335	2.2505	1.0995	3.4995	3.7731	2.6682	3.0754	1.8043	2.4058		3.8063	4.4087
H12	2.2854	2.2854	2.7194	2.7194	1.0939	3.1551	3.1551	2.6508	2.6508	3.8063	3.8063		1.8444
H13	2.2309	2.2309	3.5173	3.5173	1.0927	2.5929	2.5929	3.8624	3.8624	4.4087	4.4087	1.8444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.484	C1	C2	C5	59.123
C1	C2	H7	129.442	C1	C3	C4	89.516
C1	C3	H8	115.261	C1	C3	H10	112.943
C1	C5	C2	61.755	C1	C5	H12	119.766
C1	C5	H13	115.110	C2	C1	C3	90.484
C2	C1	C5	59.123	C2	C1	H6	129.442
C2	C4	C3	89.516	C2	C4	H9	115.261
C2	C4	H11	112.943	C2	C5	H12	119.766
C2	C5	H13	115.110	C3	C1	C5	109.105
C3	C1	H6	125.556	C3	C4	H9	116.285
C3	C4	H11	111.420	C4	C2	C5	109.105
C4	C2	H7	125.556	C4	C3	H8	116.285
C4	C3	H10	111.420	C5	C1	H6	122.387
C5	C2	H7	122.387	H8	C3	H10	110.127
H9	C4	H11	110.127	H12	C5	H13	115.027

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.211
2	C	-0.211
3	C	-0.311
4	C	-0.311
5	C	-0.315
6	H	0.151
7	H	0.151
8	H	0.170
9	H	0.170
10	H	0.180
11	H	0.180
12	H	0.173
13	H	0.186

	x	y	z	Total
	-0.239	-0.090	0.000	0.256
CHELPG
AIM
ESP

<r²>	100.814
(<r²>)^1/2	10.041

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

using model chemistry: BLYP/3-21G

States and conformations

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