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	hartrees
Energy at 0K	-193.958848
Energy at 298.15K	-193.968330
Nuclear repulsion energy	176.863965

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3346	3026	58.13
2	A'	3330	3011	2.05
3	A'	3256	2945	108.68
4	A'	3249	2938	20.97
5	A'	3202	2896	85.43
6	A'	1648	1490	0.78
7	A'	1628	1473	2.20
8	A'	1488	1346	1.32
9	A'	1378	1246	1.08
10	A'	1316	1190	0.13
11	A'	1227	1109	0.49
12	A'	1113	1007	0.02
13	A'	1050	950	3.88
14	A'	1027	929	7.73
15	A'	977	884	0.20
16	A'	848	767	1.49
17	A'	840	759	10.32
18	A'	449	406	0.41
19	A"	3325	3007	38.60
20	A"	3233	2924	1.57
21	A"	3188	2883	74.39
22	A"	1618	1463	0.07
23	A"	1441	1303	5.16
24	A"	1385	1252	0.50
25	A"	1336	1209	0.06
26	A"	1233	1115	0.13
27	A"	1197	1083	1.57
28	A"	1164	1053	0.84
29	A"	1062	960	4.90
30	A"	1018	921	0.01
31	A"	849	768	20.35
32	A"	752	680	0.02
33	A"	291	263	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.245	-0.538	0.758
C2	-0.245	-0.538	-0.758
C3	-0.245	0.991	0.779
C4	-0.245	0.991	-0.779
C5	0.941	-1.040	0.000
H6	-0.791	-1.170	1.434
H7	-0.791	-1.170	-1.434
H8	0.600	1.458	1.273
H9	0.600	1.458	-1.273
H10	-1.157	1.411	1.186
H11	-1.157	1.411	-1.186
H12	1.866	-0.484	0.000
H13	1.073	-2.108	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5167	1.5283	2.1677	1.4948	1.0750	2.3466	2.2281	2.9710	2.1932	2.8997	2.2438	2.1861
C2	1.5167		2.1677	1.5283	1.4948	2.3466	1.0750	2.9710	2.2281	2.8997	2.1932	2.2438	2.1861
C3	1.5283	2.1677		1.5581	2.4772	2.3233	3.1412	1.0855	2.2685	1.0830	2.2065	2.6901	3.4564
C4	2.1677	1.5283	1.5581		2.4772	3.1412	2.3233	2.2685	1.0855	2.2065	1.0830	2.6901	3.4564
C5	1.4948	1.4948	2.4772	2.4772		2.2528	2.2528	2.8247	2.8247	3.4369	3.4369	1.0793	1.0764
H6	1.0750	2.3466	2.3233	3.1412	2.2528		2.8686	2.9789	4.0223	2.6188	3.6963	3.0967	2.5322
H7	2.3466	1.0750	3.1412	2.3233	2.2528	2.8686		4.0223	2.9789	3.6963	2.6188	3.0967	2.5322
H8	2.2281	2.9710	1.0855	2.2685	2.8247	2.9789	4.0223		2.5466	1.7599	3.0229	2.6446	3.8164
H9	2.9710	2.2281	2.2685	1.0855	2.8247	4.0223	2.9789	2.5466		3.0229	1.7599	2.6446	3.8164
H10	2.1932	2.8997	1.0830	2.2065	3.4369	2.6188	3.6963	1.7599	3.0229		2.3720	3.7591	4.3314
H11	2.8997	2.1932	2.2065	1.0830	3.4369	3.6963	2.6188	3.0229	1.7599	2.3720		3.7591	4.3314
H12	2.2438	2.2438	2.6901	2.6901	1.0793	3.0967	3.0967	2.6446	2.6446	3.7591	3.7591		1.8078
H13	2.1861	2.1861	3.4564	3.4564	1.0764	2.5322	2.5322	3.8164	3.8164	4.3314	4.3314	1.8078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.775	C1	C2	C5	59.512
C1	C2	H7	128.960	C1	C3	C4	89.225
C1	C3	H8	115.919	C1	C3	H10	113.152
C1	C5	C2	60.975	C1	C5	H12	120.453
C1	C5	H13	115.514	C2	C1	C3	90.775
C2	C1	C5	59.512	C2	C1	H6	128.960
C2	C4	C3	89.225	C2	C4	H9	115.919
C2	C4	H11	113.152	C2	C5	H12	120.453
C2	C5	H13	115.514	C3	C1	C5	110.050
C3	C1	H6	125.458	C3	C4	H9	117.087
C3	C4	H11	112.073	C4	C2	C5	110.050
C4	C2	H7	125.458	C4	C3	H8	117.087
C4	C3	H10	112.073	C5	C1	H6	121.625
C5	C2	H7	121.625	H8	C3	H10	108.493
H9	C4	H11	108.493	H12	C5	H13	113.985

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

using model chemistry: HF/6-311G*

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	ESP
1	C	-0.236	-0.030	-0.004
2	C	-0.236	-0.030	-0.004
3	C	-0.401	-0.023	-0.173
4	C	-0.401	-0.395	-0.173
5	C	-0.421	-0.023	-0.501
6	H	0.205	0.060	0.078
7	H	0.205	0.060	0.078
8	H	0.206	0.021	0.083
9	H	0.206	0.022	0.083
10	H	0.218	0.154	0.079
11	H	0.218	0.141	0.079
12	H	0.207	0.022	0.186
13	H	0.230	0.021	0.187

	x	y	z	Total
	-0.261	-0.071	0.000	0.270
CHELPG
AIM
ESP	-0.213	-0.078	0.000	0.227

	x	y	z
x	7.689	0.000	0.069
y	0.000	7.108	0.000
z	0.069	0.000	6.700

<r²>	97.678
(<r²>)^1/2	9.883

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

using model chemistry: HF/6-311G*

States and conformations

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