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	hartrees
Energy at 0K	-31.929794
Energy at 298.15K	-31.939282
Nuclear repulsion energy	94.482843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3410	3074	73.43
2	A'	3391	3056	7.98
3	A'	3312	2986	141.54
4	A'	3300	2975	32.15
5	A'	3243	2924	101.34
6	A'	1648	1485	1.47
7	A'	1627	1467	4.90
8	A'	1483	1337	1.88
9	A'	1381	1245	2.14
10	A'	1316	1187	1.18
11	A'	1229	1108	0.38
12	A'	1119	1009	0.09
13	A'	1046	943	8.06
14	A'	1039	936	4.46
15	A'	982	885	2.22
16	A'	849	766	7.78
17	A'	836	753	16.34
18	A'	450	405	0.62
19	A"	3377	3044	36.22
20	A"	3288	2964	0.78
21	A"	3227	2908	89.72
22	A"	1625	1464	1.17
23	A"	1441	1299	5.57
24	A"	1399	1261	0.29
25	A"	1330	1199	0.31
26	A"	1245	1122	2.44
27	A"	1226	1106	1.16
28	A"	1174	1058	3.18
29	A"	1065	960	6.46
30	A"	1021	920	0.07
31	A"	843	760	30.74
32	A"	775	699	0.94
33	A"	293	264	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.252	-0.547	0.772
C2	-0.252	-0.547	-0.772
C3	-0.252	1.002	0.789
C4	-0.252	1.002	-0.789
C5	0.963	-1.050	0.000
H6	-0.795	-1.177	1.454
H7	-0.795	-1.177	-1.454
H8	0.601	1.469	1.279
H9	0.601	1.469	-1.279
H10	-1.164	1.425	1.202
H11	-1.164	1.425	-1.202
H12	1.881	-0.478	0.000
H13	1.112	-2.119	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5436	1.5483	2.1987	1.5248	1.0758	2.3764	2.2462	2.9992	2.2149	2.9354	2.2695	2.2204
C2	1.5436		2.1987	1.5483	1.5248	2.3764	1.0758	2.9992	2.2462	2.9354	2.2149	2.2695	2.2204
C3	1.5483	2.1987		1.5789	2.5114	2.3414	3.1740	1.0888	2.2860	1.0870	2.2310	2.7136	3.4962
C4	2.1987	1.5483	1.5789		2.5114	3.1740	2.3414	2.2860	1.0888	2.2310	1.0870	2.7136	3.4962
C5	1.5248	1.5248	2.5114	2.5114		2.2846	2.2846	2.8477	2.8477	3.4778	3.4778	1.0814	1.0797
H6	1.0758	2.3764	2.3414	3.1740	2.2846		2.9086	2.9959	4.0519	2.6405	3.7369	3.1243	2.5766
H7	2.3764	1.0758	3.1740	2.3414	2.2846	2.9086		4.0519	2.9959	3.7369	2.6405	3.1243	2.5766
H8	2.2462	2.9992	1.0888	2.2860	2.8477	2.9959	4.0519		2.5588	1.7672	3.0454	2.6582	3.8430
H9	2.9992	2.2462	2.2860	1.0888	2.8477	4.0519	2.9959	2.5588		3.0454	1.7672	2.6582	3.8430
H10	2.2149	2.9354	1.0870	2.2310	3.4778	2.6405	3.7369	1.7672	3.0454		2.4040	3.7871	4.3807
H11	2.9354	2.2149	2.2310	1.0870	3.4778	3.7369	2.6405	3.0454	1.7672	2.4040		3.7871	4.3807
H12	2.2695	2.2695	2.7136	2.7136	1.0814	3.1243	3.1243	2.6582	2.6582	3.7871	3.7871		1.8117
H13	2.2204	2.2204	3.4962	3.4962	1.0797	2.5766	2.5766	3.8430	3.8430	4.3807	4.3807	1.8117

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.653	C1	C2	C5	59.590
C1	C2	H7	129.376	C1	C3	C4	89.347
C1	C3	H8	115.716	C1	C3	H10	113.218
C1	C5	C2	60.821	C1	C5	H12	120.147
C1	C5	H13	115.923	C2	C1	C3	90.653
C2	C1	C5	59.590	C2	C1	H6	129.376
C2	C4	C3	89.347	C2	C4	H9	115.716
C2	C4	H11	113.218	C2	C5	H12	120.147
C2	C5	H13	115.923	C3	C1	C5	109.616
C3	C1	H6	125.355	C3	C4	H9	116.742
C3	C4	H11	112.304	C4	C2	C5	109.616
C4	C2	H7	125.355	C4	C3	H8	116.742
C4	C3	H10	112.304	C5	C1	H6	121.975
C5	C2	H7	121.975	H8	C3	H10	108.618
H9	C4	H11	108.618	H12	C5	H13	113.928

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	C	-0.157
2	C	-0.157
3	C	-0.273
4	C	-0.273
5	C	-0.370
6	H	0.236
7	H	0.236
8	H	0.123
9	H	0.123
10	H	0.107
11	H	0.107
12	H	0.162
13	H	0.136

	x	y	z	Total
	-0.224	0.038	0.000	0.227
CHELPG
AIM
ESP

	x	y	z
x	7.339	0.000	0.182
y	0.000	7.078	0.000
z	0.182	0.000	6.208

<r²>	84.956
(<r²>)^1/2	9.217

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

using model chemistry: HF/CEP-31G

States and conformations

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