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	hartrees
Energy at 0K	-193.926966
Energy at 298.15K	-193.936453
HF Energy	-193.926966
Nuclear repulsion energy	176.956258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3374	3031	45.05
2	A'	3359	3018	1.64
3	A'	3283	2950	100.06
4	A'	3279	2946	6.06
5	A'	3229	2901	70.88
6	A'	1661	1492	0.49
7	A'	1642	1475	1.17
8	A'	1501	1349	2.06
9	A'	1390	1249	0.84
10	A'	1323	1189	0.32
11	A'	1236	1111	0.53
12	A'	1124	1010	0.06
13	A'	1056	949	3.20
14	A'	1040	935	7.69
15	A'	985	885	0.09
16	A'	854	768	7.99
17	A'	853	766	1.95
18	A'	451	405	0.41
19	A"	3354	3013	32.13
20	A"	3262	2931	0.97
21	A"	3216	2889	64.80
22	A"	1631	1465	0.06
23	A"	1454	1306	3.49
24	A"	1397	1255	0.35
25	A"	1342	1206	0.03
26	A"	1243	1117	0.10
27	A"	1215	1092	1.58
28	A"	1178	1059	0.44
29	A"	1072	963	4.70
30	A"	1025	921	0.00
31	A"	858	771	17.64
32	A"	753	677	0.00
33	A"	292	262	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	-0.245	-0.538	0.756
C2	-0.245	-0.538	-0.756
C3	-0.245	0.990	0.779
C4	-0.245	0.990	-0.779
C5	0.941	-1.039	0.000
H6	-0.791	-1.170	1.434
H7	-0.791	-1.170	-1.434
H8	0.601	1.458	1.272
H9	0.601	1.458	-1.272
H10	-1.157	1.410	1.186
H11	-1.157	1.410	-1.186
H12	1.865	-0.481	0.000
H13	1.074	-2.107	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5130	1.5281	2.1661	1.4935	1.0754	2.3440	2.2282	2.9687	2.1932	2.8982	2.2429	2.1854
C2	1.5130		2.1661	1.5281	1.4935	2.3440	1.0754	2.9687	2.2282	2.8982	2.1932	2.2429	2.1854
C3	1.5281	2.1661		1.5579	2.4757	2.3224	3.1401	1.0856	2.2675	1.0833	2.2067	2.6878	3.4554
C4	2.1661	1.5281	1.5579		2.4757	3.1401	2.3224	2.2675	1.0856	2.2067	1.0833	2.6878	3.4554
C5	1.4935	1.4935	2.4757	2.4757		2.2526	2.2526	2.8219	2.8219	3.4357	3.4357	1.0795	1.0767
H6	1.0754	2.3440	2.3224	3.1401	2.2526		2.8672	2.9785	4.0205	2.6176	3.6952	3.0966	2.5326
H7	2.3440	1.0754	3.1401	2.3224	2.2526	2.8672		4.0205	2.9785	3.6952	2.6176	3.0966	2.5326
H8	2.2282	2.9687	1.0856	2.2675	2.8219	2.9785	4.0205		2.5437	1.7614	3.0228	2.6403	3.8140
H9	2.9687	2.2282	2.2675	1.0856	2.8219	4.0205	2.9785	2.5437		3.0228	1.7614	2.6403	3.8140
H10	2.1932	2.8982	1.0833	2.2067	3.4357	2.6176	3.6952	1.7614	3.0228		2.3725	3.7571	4.3307
H11	2.8982	2.1932	2.2067	1.0833	3.4357	3.6952	2.6176	3.0228	1.7614	2.3725		3.7571	4.3307
H12	2.2429	2.2429	2.6878	2.6878	1.0795	3.0966	3.0966	2.6403	2.6403	3.7571	3.7571		1.8084
H13	2.1854	2.1854	3.4554	3.4554	1.0767	2.5326	2.5326	3.8140	3.8140	4.3307	4.3307	1.8084

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.843	C1	C2	C5	59.568
C1	C2	H7	129.026	C1	C3	C4	89.157
C1	C3	H8	115.932	C1	C3	H10	113.144
C1	C5	C2	60.864	C1	C5	H12	120.457
C1	C5	H13	115.529	C2	C1	C3	90.843
C2	C1	C5	59.568	C2	C1	H6	129.026
C2	C4	C3	89.157	C2	C4	H9	115.932
C2	C4	H11	113.144	C2	C5	H12	120.457
C2	C5	H13	115.529	C3	C1	C5	110.033
C3	C1	H6	125.355	C3	C4	H9	117.001
C3	C4	H11	112.084	C4	C2	C5	110.033
C4	C2	H7	125.355	C4	C3	H8	117.001
C4	C3	H10	112.084	C5	C1	H6	121.685
C5	C2	H7	121.685	H8	C3	H10	108.598
H9	C4	H11	108.598	H12	C5	H13	114.005

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
1	C	-0.195
2	C	-0.195
3	C	-0.316
4	C	-0.316
5	C	-0.364
6	H	0.184
7	H	0.184
8	H	0.161
9	H	0.161
10	H	0.171
11	H	0.171
12	H	0.172
13	H	0.182

	x	y	z	Total
	-0.257	-0.077	0.000	0.268
CHELPG	-0.006	0.000	-0.206	0.206
AIM	-0.057	-0.120	0.000	0.133
ESP	-0.214	-0.088	0.000	0.232

	x	y	z
x	6.545	-0.376	-0.001
y	-0.376	7.109	-0.000
z	-0.001	-0.000	6.663

<r²>	97.419
(<r²>)^1/2	9.870

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)