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	hartrees
Energy at 0K	-193.837907
Energy at 298.15K	-193.847444
Nuclear repulsion energy	176.154460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3396	3066	31.57
2	A'	3374	3047	6.05
3	A'	3290	2971	38.64
4	A'	3284	2965	51.91
5	A'	3226	2913	58.63
6	A'	1663	1502	1.80
7	A'	1640	1481	3.88
8	A'	1488	1344	0.80
9	A'	1379	1245	2.13
10	A'	1323	1195	0.52
11	A'	1233	1113	0.74
12	A'	1135	1025	0.11
13	A'	1050	948	7.23
14	A'	1047	945	3.07
15	A'	972	878	1.71
16	A'	860	777	2.90
17	A'	841	759	11.60
18	A'	462	418	0.62
19	A"	3377	3049	20.57
20	A"	3263	2946	0.21
21	A"	3213	2901	59.00
22	A"	1642	1482	0.56
23	A"	1441	1301	7.37
24	A"	1418	1280	0.01
25	A"	1346	1215	0.15
26	A"	1267	1144	1.96
27	A"	1245	1124	1.01
28	A"	1191	1076	2.95
29	A"	1072	968	4.83
30	A"	1030	930	0.62
31	A"	847	765	23.72
32	A"	782	706	0.23
33	A"	301	272	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.248	-0.542	0.764
C2	-0.248	-0.542	-0.764
C3	-0.248	0.994	0.784
C4	-0.248	0.994	-0.784
C5	0.947	-1.044	0.000
H6	-0.791	-1.166	1.443
H7	-0.791	-1.166	-1.443
H8	0.601	1.458	1.271
H9	0.601	1.458	-1.271
H10	-1.156	1.416	1.194
H11	-1.156	1.416	-1.194
H12	1.861	-0.478	0.000
H13	1.097	-2.108	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5281	1.5361	2.1809	1.5048	1.0706	2.3574	2.2311	2.9769	2.2005	2.9139	2.2443	2.2013
C2	1.5281		2.1809	1.5361	1.5048	2.3574	1.0706	2.9769	2.2311	2.9139	2.2005	2.2443	2.2013
C3	1.5361	2.1809		1.5684	2.4897	2.3230	3.1502	1.0832	2.2715	1.0816	2.2169	2.6890	3.4709
C4	2.1809	1.5361	1.5684		2.4897	3.1502	2.3230	2.2715	1.0832	2.2169	1.0816	2.6890	3.4709
C5	1.5048	1.5048	2.4897	2.4897		2.2626	2.2626	2.8279	2.8279	3.4497	3.4497	1.0756	1.0741
H6	1.0706	2.3574	2.3230	3.1502	2.2626		2.8868	2.9757	4.0240	2.6197	3.7089	3.0971	2.5565
H7	2.3574	1.0706	3.1502	2.3230	2.2626	2.8868		4.0240	2.9757	3.7089	2.6197	3.0971	2.5565
H8	2.2311	2.9769	1.0832	2.2715	2.8279	2.9757	4.0240		2.5418	1.7591	3.0271	2.6364	3.8181
H9	2.9769	2.2311	2.2715	1.0832	2.8279	4.0240	2.9757	2.5418		3.0271	1.7591	2.6364	3.8181
H10	2.2005	2.9139	1.0816	2.2169	3.4497	2.6197	3.7089	1.7591	3.0271		2.3877	3.7569	4.3496
H11	2.9139	2.2005	2.2169	1.0816	3.4497	3.7089	2.6197	3.0271	1.7591	2.3877		3.7569	4.3496
H12	2.2443	2.2443	2.6890	2.6890	1.0756	3.0971	3.0971	2.6364	2.6364	3.7569	3.7569		1.8003
H13	2.2013	2.2013	3.4709	3.4709	1.0741	2.5565	2.5565	3.8181	3.8181	4.3496	4.3496	1.8003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.751	C1	C2	C5	59.486
C1	C2	H7	129.386	C1	C3	C4	89.249
C1	C3	H8	115.735	C1	C3	H10	113.270
C1	C5	C2	61.028	C1	C5	H12	119.943
C1	C5	H13	116.210	C2	C1	C3	90.751
C2	C1	C5	59.486	C2	C1	H6	129.386
C2	C4	C3	89.249	C2	C4	H9	115.735
C2	C4	H11	113.270	C2	C5	H12	119.943
C2	C5	H13	116.210	C3	C1	C5	109.911
C3	C1	H6	125.080	C3	C4	H9	116.702
C3	C4	H11	112.258	C4	C2	C5	109.911
C4	C2	H7	125.080	C4	C3	H8	116.702
C4	C3	H10	112.258	C5	C1	H6	122.030
C5	C2	H7	122.030	H8	C3	H10	108.700
H9	C4	H11	108.700	H12	C5	H13	113.751

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

using model chemistry: HF/6-31G

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	CHELPG
1	C	-0.226	-0.047
2	C	-0.226	-0.047
3	C	-0.285	-0.039
4	C	-0.285	-0.386
5	C	-0.324	-0.039
6	H	0.180	0.071
7	H	0.180	0.071
8	H	0.156	0.030
9	H	0.156	0.031
10	H	0.166	0.159
11	H	0.166	0.137
12	H	0.166	0.031
13	H	0.176	0.030

	x	y	z	Total
	-0.268	-0.068	0.000	0.277
CHELPG	-0.015	0.000	-0.214	0.215
AIM
ESP

	x	y	z
x	7.294	0.000	0.115
y	0.000	6.716	0.000
z	0.115	0.000	6.331

<r²>	98.285
(<r²>)^1/2	9.914

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

using model chemistry: HF/6-31G

States and conformations

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