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	hartrees
Energy at 0K	-194.338135
Energy at 298.15K	-194.347330
HF Energy	-193.833819
Nuclear repulsion energy	173.248192

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3204	3087	30.29
2	A'	3185	3069	4.09
3	A'	3100	2987	28.19
4	A'	3096	2983	47.24
5	A'	3037	2927	47.66
6	A'	1555	1498	1.09
7	A'	1530	1474	2.55
8	A'	1378	1328	0.63
9	A'	1268	1222	1.48
10	A'	1222	1177	0.46
11	A'	1134	1092	1.19
12	A'	1055	1017	0.34
13	A'	980	944	7.34
14	A'	964	929	1.69
15	A'	897	865	1.36
16	A'	803	773	1.29
17	A'	757	730	7.45
18	A'	424	408	0.52
19	A"	3186	3070	18.10
20	A"	3076	2964	0.06
21	A"	3026	2916	44.62
22	A"	1537	1481	0.30
23	A"	1320	1271	3.74
24	A"	1305	1258	2.28
25	A"	1239	1194	0.03
26	A"	1162	1120	1.49
27	A"	1144	1103	3.62
28	A"	1103	1063	0.96
29	A"	997	960	3.87
30	A"	950	916	0.17
31	A"	782	754	14.82
32	A"	708	683	0.00
33	A"	266	257	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	-0.251	-0.549	0.781
C2	-0.251	-0.549	-0.781
C3	-0.251	1.009	0.797
C4	-0.251	1.009	-0.797
C5	0.960	-1.061	0.000
H6	-0.802	-1.184	1.474
H7	-0.802	-1.184	-1.474
H8	0.613	1.482	1.293
H9	0.613	1.482	-1.293
H10	-1.176	1.438	1.212
H11	-1.176	1.438	-1.212
H12	1.892	-0.487	0.000
H13	1.109	-2.143	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5626	1.5579	2.2178	1.5299	1.0891	2.4069	2.2658	3.0287	2.2335	2.9627	2.2825	2.2369
C2	1.5626		2.2178	1.5579	1.5299	2.4069	1.0891	3.0287	2.2658	2.9627	2.2335	2.2825	2.2369
C3	1.5579	2.2178		1.5945	2.5274	2.3600	3.2048	1.1026	2.3104	1.1009	2.2535	2.7328	3.5248
C4	2.2178	1.5579	1.5945		2.5274	3.2048	2.3600	2.3104	1.1026	2.2535	1.1009	2.7328	3.5248
C5	1.5299	1.5299	2.5274	2.5274		2.3006	2.3006	2.8740	2.8740	3.5041	3.5041	1.0948	1.0927
H6	1.0891	2.4069	2.3600	3.2048	2.3006		2.9483	3.0236	4.0944	2.6612	3.7724	3.1492	2.5971
H7	2.4069	1.0891	3.2048	2.3600	2.3006	2.9483		4.0944	3.0236	3.7724	2.6612	3.1492	2.5971
H8	2.2658	3.0287	1.1026	2.3104	2.8740	3.0236	4.0944		2.5852	1.7912	3.0785	2.6806	3.8812
H9	3.0287	2.2658	2.3104	1.1026	2.8740	4.0944	3.0236	2.5852		3.0785	1.7912	2.6806	3.8812
H10	2.2335	2.9627	1.1009	2.2535	3.5041	2.6612	3.7724	1.7912	3.0785		2.4249	3.8198	4.4180
H11	2.9627	2.2335	2.2535	1.1009	3.5041	3.7724	2.6612	3.0785	1.7912	2.4249		3.8198	4.4180
H12	2.2825	2.2825	2.7328	2.7328	1.0948	3.1492	3.1492	2.6806	2.6806	3.8198	3.8198		1.8326
H13	2.2369	2.2369	3.5248	3.5248	1.0927	2.5971	2.5971	3.8812	3.8812	4.4180	4.4180	1.8326

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.588	C1	C2	C5	59.290
C1	C2	H7	129.506	C1	C3	C4	89.412
C1	C3	H8	115.717	C1	C3	H10	113.165
C1	C5	C2	61.420	C1	C5	H12	119.917
C1	C5	H13	116.069	C2	C1	C3	90.588
C2	C1	C5	59.290	C2	C1	H6	129.506
C2	C4	C3	89.412	C2	C4	H9	115.717
C2	C4	H11	113.165	C2	C5	H12	119.917
C2	C5	H13	116.069	C3	C1	C5	109.870
C3	C1	H6	125.204	C3	C4	H9	116.695
C3	C4	H11	112.156	C4	C2	C5	109.870
C4	C2	H7	125.204	C4	C3	H8	116.695
C4	C3	H10	112.156	C5	C1	H6	122.002
C5	C2	H7	122.002	H8	C3	H10	108.763
H9	C4	H11	108.763	H12	C5	H13	113.804

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

using model chemistry: QCISD/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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All results from a given calculation for C5H8 (Bicyclo[2.1.0]pentane)

using model chemistry: QCISD/6-31G

States and conformations

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