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	hartrees
Energy at 0K	-195.216129
Energy at 298.15K	-195.225294
Nuclear repulsion energy	176.107348

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3082	26.72
2	A'	3203	3064	8.64
3	A'	3138	3002	51.24
4	A'	3122	2987	22.20
5	A'	3071	2938	61.39
6	A'	1533	1466	0.91
7	A'	1509	1444	2.21
8	A'	1390	1330	0.74
9	A'	1265	1210	1.44
10	A'	1229	1175	0.25
11	A'	1147	1097	0.34
12	A'	1046	1000	0.09
13	A'	999	956	2.38
14	A'	960	918	8.36
15	A'	925	885	1.06
16	A'	795	760	0.84
17	A'	790	756	8.16
18	A'	414	396	0.75
19	A"	3195	3057	27.11
20	A"	3120	2985	0.70
21	A"	3062	2930	51.33
22	A"	1504	1439	0.09
23	A"	1328	1270	5.30
24	A"	1273	1218	1.33
25	A"	1235	1182	0.07
26	A"	1135	1086	0.04
27	A"	1090	1043	3.68
28	A"	1065	1019	0.11
29	A"	1009	965	4.25
30	A"	944	903	0.21
31	A"	814	779	14.26
32	A"	683	653	0.13
33	A"	266	254	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	-0.245	-0.537	0.764
C2	-0.245	-0.537	-0.764
C3	-0.245	0.992	0.780
C4	-0.245	0.992	-0.780
C5	0.941	-1.046	0.000
H6	-0.799	-1.175	1.447
H7	-0.799	-1.175	-1.447
H8	0.609	1.467	1.279
H9	0.609	1.467	-1.279
H10	-1.166	1.418	1.189
H11	-1.166	1.418	-1.189
H12	1.879	-0.488	0.000
H13	1.066	-2.126	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5277	1.5290	2.1725	1.4997	1.0867	2.3667	2.2380	2.9858	2.2022	2.9127	2.2575	2.1975
C2	1.5277		2.1725	1.5290	1.4997	2.3667	1.0867	2.9858	2.2380	2.9127	2.2022	2.2575	2.1975
C3	1.5290	2.1725		1.5594	2.4835	2.3343	3.1561	1.0973	2.2785	1.0941	2.2151	2.7035	3.4715
C4	2.1725	1.5290	1.5594		2.4835	3.1561	2.3343	2.2785	1.0973	2.2151	1.0941	2.7035	3.4715
C5	1.4997	1.4997	2.4835	2.4835		2.2667	2.2667	2.8386	2.8386	3.4530	3.4530	1.0912	1.0876
H6	1.0867	2.3667	2.3343	3.1561	2.2667		2.8934	2.9986	4.0485	2.6314	3.7158	3.1203	2.5451
H7	2.3667	1.0867	3.1561	2.3343	2.2667	2.8934		4.0485	2.9986	3.7158	2.6314	3.1203	2.5451
H8	2.2380	2.9858	1.0973	2.2785	2.8386	2.9986	4.0485		2.5570	1.7781	3.0405	2.6583	3.8408
H9	2.9858	2.2380	2.2785	1.0973	2.8386	4.0485	2.9986	2.5570		3.0405	1.7781	2.6583	3.8408
H10	2.2022	2.9127	1.0941	2.2151	3.4530	2.6314	3.7158	1.7781	3.0405		2.3788	3.7837	4.3540
H11	2.9127	2.2022	2.2151	1.0941	3.4530	3.7158	2.6314	3.0405	1.7781	2.3788		3.7837	4.3540
H12	2.2575	2.2575	2.7035	2.7035	1.0912	3.1203	3.1203	2.6583	2.6583	3.7837	3.7837		1.8286
H13	2.1975	2.1975	3.4715	3.4715	1.0876	2.5451	2.5451	3.8408	3.8408	4.3540	4.3540	1.8286

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.595	C1	C2	C5	59.382
C1	C2	H7	128.931	C1	C3	C4	89.405
C1	C3	H8	115.925	C1	C3	H10	113.142
C1	C5	C2	61.237	C1	C5	H12	120.403
C1	C5	H13	115.362	C2	C1	C3	90.595
C2	C1	C5	59.382	C2	C1	H6	128.931
C2	C4	C3	89.405	C2	C4	H9	115.925
C2	C4	H11	113.142	C2	C5	H12	120.403
C2	C5	H13	115.362	C3	C1	C5	110.166
C3	C1	H6	125.513	C3	C4	H9	117.038
C3	C4	H11	111.992	C4	C2	C5	110.166
C4	C2	H7	125.513	C4	C3	H8	117.038
C4	C3	H10	111.992	C5	C1	H6	121.594
C5	C2	H7	121.594	H8	C3	H10	108.469
H9	C4	H11	108.469	H12	C5	H13	114.130

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

using model chemistry: B3PW91/6-31G*

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	ESP
1	C	-0.149	-0.011
2	C	-0.149	-0.011
3	C	-0.326	-0.188
4	C	-0.326	-0.188
5	C	-0.366	-0.489
6	H	0.161	0.083
7	H	0.161	0.083
8	H	0.159	0.090
9	H	0.159	0.090
10	H	0.169	0.087
11	H	0.169	0.087
12	H	0.166	0.184
13	H	0.175	0.185

	x	y	z	Total
	-0.264	-0.076	0.000	0.275
CHELPG
AIM
ESP	-0.223	-0.084	0.000	0.238

<r²>	97.752
(<r²>)^1/2	9.887

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

using model chemistry: B3PW91/6-31G*

States and conformations

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