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	hartrees
Energy at 0K	-193.997157
Energy at 298.15K	-194.006634
HF Energy	-193.997157
Nuclear repulsion energy	177.243294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3336	3023	41.16
2	A'	3320	3009	1.31
3	A'	3241	2938	95.86
4	A'	3238	2935	7.65
5	A'	3186	2888	77.87
6	A'	1634	1481	0.94
7	A'	1616	1465	1.84
8	A'	1480	1341	1.33
9	A'	1368	1240	1.28
10	A'	1309	1186	0.09
11	A'	1219	1105	0.49
12	A'	1110	1006	0.07
13	A'	1045	947	4.35
14	A'	1025	929	5.96
15	A'	972	881	0.25
16	A'	844	765	1.20
17	A'	838	760	10.62
18	A'	449	407	0.34
19	A"	3316	3006	30.04
20	A"	3219	2918	2.02
21	A"	3173	2876	64.95
22	A"	1604	1454	0.18
23	A"	1432	1298	5.18
24	A"	1381	1252	0.44
25	A"	1327	1203	0.01
26	A"	1227	1113	0.12
27	A"	1201	1088	1.40
28	A"	1162	1053	1.18
29	A"	1059	960	4.77
30	A"	1013	918	0.00
31	A"	846	767	18.58
32	A"	748	678	0.02
33	A"	290	263	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	-0.245	-0.537	0.756
C2	-0.245	-0.537	-0.756
C3	-0.245	0.988	0.778
C4	-0.245	0.988	-0.778
C5	0.939	-1.037	0.000
H6	-0.787	-1.168	1.433
H7	-0.787	-1.168	-1.433
H8	0.600	1.455	1.270
H9	0.600	1.455	-1.270
H10	-1.155	1.407	1.183
H11	-1.155	1.407	-1.183
H12	1.860	-0.480	0.000
H13	1.070	-2.103	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5128	1.5255	2.1636	1.4910	1.0723	2.3423	2.2237	2.9646	2.1889	2.8931	2.2374	2.1807
C2	1.5128		2.1636	1.5255	1.4910	2.3423	1.0723	2.9646	2.2237	2.8931	2.1889	2.2374	2.1807
C3	1.5255	2.1636		1.5559	2.4717	2.3180	3.1358	1.0835	2.2644	1.0809	2.2020	2.6817	3.4487
C4	2.1636	1.5255	1.5559		2.4717	3.1358	2.3180	2.2644	1.0835	2.2020	1.0809	2.6817	3.4487
C5	1.4910	1.4910	2.4717	2.4717		2.2467	2.2467	2.8175	2.8175	3.4293	3.4293	1.0769	1.0741
H6	1.0723	2.3423	2.3180	3.1358	2.2467		2.8666	2.9713	4.0140	2.6139	3.6896	3.0874	2.5252
H7	2.3423	1.0723	3.1358	2.3180	2.2467	2.8666		4.0140	2.9713	3.6896	2.6139	3.0874	2.5252
H8	2.2237	2.9646	1.0835	2.2644	2.8175	2.9713	4.0140		2.5408	1.7583	3.0170	2.6351	3.8071
H9	2.9646	2.2237	2.2644	1.0835	2.8175	4.0140	2.9713	2.5408		3.0170	1.7583	2.6351	3.8071
H10	2.1889	2.8931	1.0809	2.2020	3.4293	2.6139	3.6896	1.7583	3.0170		2.3656	3.7488	4.3217
H11	2.8931	2.1889	2.2020	1.0809	3.4293	3.6896	2.6139	3.0170	1.7583	2.3656		3.7488	4.3217
H12	2.2374	2.2374	2.6817	2.6817	1.0769	3.0874	3.0874	2.6351	2.6351	3.7488	3.7488		1.8052
H13	2.1807	2.1807	3.4487	3.4487	1.0741	2.5252	2.5252	3.8071	3.8071	4.3217	4.3217	1.8052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.809	C1	C2	C5	59.515
C1	C2	H7	129.140	C1	C3	C4	89.191
C1	C3	H8	115.895	C1	C3	H10	113.138
C1	C5	C2	60.970	C1	C5	H12	120.362
C1	C5	H13	115.493	C2	C1	C3	90.809
C2	C1	C5	59.515	C2	C1	H6	129.140
C2	C4	C3	89.191	C2	C4	H9	115.895
C2	C4	H11	113.138	C2	C5	H12	120.362
C2	C5	H13	115.493	C3	C1	C5	110.041
C3	C1	H6	125.423	C3	C4	H9	117.030
C3	C4	H11	111.994	C4	C2	C5	110.041
C4	C2	H7	125.423	C4	C3	H8	117.030
C4	C3	H10	111.994	C5	C1	H6	121.578
C5	C2	H7	121.578	H8	C3	H10	108.654
H9	C4	H11	108.654	H12	C5	H13	114.125

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

using model chemistry: HF/Def2TZVPP

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	-0.053
2	C	-0.053
3	C	-0.079
4	C	-0.079
5	C	-0.125
6	H	0.061
7	H	0.061
8	H	0.040
9	H	0.040
10	H	0.047
11	H	0.047
12	H	0.040
13	H	0.052

	x	y	z	Total
	-0.237	-0.061	0.000	0.245
CHELPG
AIM
ESP

	x	y	z
x	7.304	-0.417	0.000
y	-0.417	7.975	0.000
z	0.000	0.000	7.655

<r²>	97.296
(<r²>)^1/2	9.864

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

using model chemistry: HF/Def2TZVPP

States and conformations

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