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	hartrees
Energy at 0K	-194.508601
Energy at 298.15K	-194.517980
HF Energy	-193.926830
Nuclear repulsion energy	176.869733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3326	3072	25.80
2	A'	3310	3057	4.84
3	A'	3241	2994	53.23
4	A'	3230	2984	16.99
5	A'	3180	2937	52.24
6	A'	1608	1485	0.87
7	A'	1588	1467	2.25
8	A'	1462	1350	0.54
9	A'	1340	1238	1.29
10	A'	1285	1187	0.25
11	A'	1202	1111	0.41
12	A'	1098	1014	0.06
13	A'	1041	962	3.10
14	A'	1015	937	7.82
15	A'	969	895	0.04
16	A'	840	776	7.60
17	A'	833	770	1.70
18	A'	439	405	0.56
19	A"	3301	3049	21.27
20	A"	3223	2978	0.26
21	A"	3170	2928	46.51
22	A"	1579	1458	0.09
23	A"	1401	1294	5.09
24	A"	1344	1241	1.00
25	A"	1295	1196	0.02
26	A"	1201	1109	0.03
27	A"	1165	1076	2.83
28	A"	1134	1048	0.62
29	A"	1054	974	4.26
30	A"	993	918	0.13
31	A"	848	784	15.86
32	A"	726	671	0.07
33	A"	279	257	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	-0.245	-0.537	0.758
C2	-0.245	-0.537	-0.758
C3	-0.245	0.988	0.778
C4	-0.245	0.988	-0.778
C5	0.941	-1.036	0.000
H6	-0.794	-1.173	1.437
H7	-0.794	-1.173	-1.437
H8	0.605	1.457	1.274
H9	0.605	1.457	-1.274
H10	-1.161	1.411	1.187
H11	-1.161	1.411	-1.187
H12	1.867	-0.473	0.000
H13	1.077	-2.109	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5157	1.5255	2.1647	1.4938	1.0803	2.3505	2.2285	2.9711	2.1946	2.9006	2.2455	2.1895
C2	1.5157		2.1647	1.5255	1.4938	2.3505	1.0803	2.9711	2.2285	2.9006	2.1946	2.2455	2.1895
C3	1.5255	2.1647		1.5561	2.4723	2.3255	3.1436	1.0904	2.2700	1.0878	2.2083	2.6839	3.4565
C4	2.1647	1.5255	1.5561		2.4723	3.1436	2.3255	2.2700	1.0904	2.2083	1.0878	2.6839	3.4565
C5	1.4938	1.4938	2.4723	2.4723		2.2570	2.2570	2.8199	2.8199	3.4373	3.4373	1.0843	1.0812
H6	1.0803	2.3505	2.3255	3.1436	2.2570		2.8750	2.9837	4.0282	2.6222	3.7013	3.1044	2.5378
H7	2.3505	1.0803	3.1436	2.3255	2.2570	2.8750		4.0282	2.9837	3.7013	2.6222	3.1044	2.5378
H8	2.2285	2.9711	1.0904	2.2700	2.8199	2.9837	4.0282		2.5473	1.7688	3.0289	2.6341	3.8159
H9	2.9711	2.2285	2.2700	1.0904	2.8199	4.0282	2.9837	2.5473		3.0289	1.7688	2.6341	3.8159
H10	2.1946	2.9006	1.0878	2.2083	3.4373	2.6222	3.7013	1.7688	3.0289		2.3735	3.7583	4.3365
H11	2.9006	2.1946	2.2083	1.0878	3.4373	3.7013	2.6222	3.0289	1.7688	2.3735		3.7583	4.3365
H12	2.2455	2.2455	2.6839	2.6839	1.0843	3.1044	3.1044	2.6341	2.6341	3.7583	3.7583		1.8172
H13	2.1895	2.1895	3.4565	3.4565	1.0812	2.5378	2.5378	3.8159	3.8159	4.3365	4.3365	1.8172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.759	C1	C2	C5	59.514
C1	C2	H7	128.983	C1	C3	C4	89.241
C1	C3	H8	115.841	C1	C3	H10	113.161
C1	C5	C2	60.973	C1	C5	H12	120.314
C1	C5	H13	115.555	C2	C1	C3	90.759
C2	C1	C5	59.514	C2	C1	H6	128.983
C2	C4	C3	89.241	C2	C4	H9	115.841
C2	C4	H11	113.161	C2	C5	H12	120.314
C2	C5	H13	115.555	C3	C1	C5	109.931
C3	C1	H6	125.492	C3	C4	H9	117.031
C3	C4	H11	112.065	C4	C2	C5	109.931
C4	C2	H7	125.492	C4	C3	H8	117.031
C4	C3	H10	112.065	C5	C1	H6	121.686
C5	C2	H7	121.686	H8	C3	H10	108.588
H9	C4	H11	108.588	H12	C5	H13	114.108

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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