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	hartrees
Energy at 0K	-193.286541
Energy at 298.15K	-193.295726
HF Energy	-192.838013
Nuclear repulsion energy	173.688338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	3117	17.55
2	A'	3258	3099	1.46
3	A'	3184	3029	35.20
4	A'	3168	3013	11.66
5	A'	3117	2965	34.16
6	A'	1586	1509	1.37
7	A'	1558	1482	2.99
8	A'	1374	1307	0.24
9	A'	1269	1207	2.96
10	A'	1234	1174	0.60
11	A'	1128	1073	2.54
12	A'	1057	1006	0.36
13	A'	987	939	9.75
14	A'	965	918	0.37
15	A'	892	848	1.63
16	A'	795	757	1.60
17	A'	745	709	6.67
18	A'	432	411	0.84
19	A"	3258	3099	11.00
20	A"	3165	3011	0.03
21	A"	3108	2956	32.06
22	A"	1567	1491	0.42
23	A"	1322	1257	4.11
24	A"	1314	1250	5.70
25	A"	1266	1205	0.33
26	A"	1171	1114	3.75
27	A"	1140	1084	4.63
28	A"	1119	1064	0.46
29	A"	1001	953	3.45
30	A"	945	899	0.51
31	A"	778	740	13.34
32	A"	699	665	0.10
33	A"	258	245	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	-0.254	-0.555	0.785
C2	-0.254	-0.555	-0.785
C3	-0.254	1.002	0.799
C4	-0.254	1.002	-0.799
C5	0.968	-1.036	0.000
H6	-0.788	-1.192	1.474
H7	-0.788	-1.192	-1.474
H8	0.609	1.465	1.287
H9	0.609	1.465	-1.287
H10	-1.180	1.423	1.197
H11	-1.180	1.423	-1.197
H12	1.874	-0.436	0.000
H13	1.128	-2.109	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5691	1.5571	2.2211	1.5297	1.0803	2.4068	2.2533	3.0192	2.2232	2.9494	2.2711	2.2232
C2	1.5691		2.2211	1.5571	1.5297	2.4068	1.0803	3.0192	2.2533	2.9494	2.2232	2.2711	2.2232
C3	1.5571	2.2211		1.5987	2.5069	2.3570	3.2045	1.0939	2.3046	1.0928	2.2409	2.6897	3.4973
C4	2.2211	1.5571	1.5987		2.5069	3.2045	2.3570	2.3046	1.0939	2.2409	1.0928	2.6897	3.4973
C5	1.5297	1.5297	2.5069	2.5069		2.2983	2.2983	2.8351	2.8351	3.4780	3.4780	1.0865	1.0858
H6	1.0803	2.4068	2.3570	3.2045	2.2983		2.9481	3.0080	4.0787	2.6593	3.7589	3.1357	2.5860
H7	2.4068	1.0803	3.2045	2.3570	2.2983	2.9481		4.0787	3.0080	3.7589	2.6593	3.1357	2.5860
H8	2.2533	3.0192	1.0939	2.3046	2.8351	3.0080	4.0787		2.5737	1.7924	3.0617	2.6208	3.8344
H9	3.0192	2.2533	2.3046	1.0939	2.8351	4.0787	3.0080	2.5737		3.0617	1.7924	2.6208	3.8344
H10	2.2232	2.9494	1.0928	2.2409	3.4780	2.6593	3.7589	1.7924	3.0617		2.3939	3.7709	4.3869
H11	2.9494	2.2232	2.2409	1.0928	3.4780	3.7589	2.6593	3.0617	1.7924	2.3939		3.7709	4.3869
H12	2.2711	2.2711	2.6897	2.6897	1.0865	3.1357	3.1357	2.6208	2.6208	3.7709	3.7709		1.8324
H13	2.2232	2.2232	3.4973	3.4973	1.0858	2.5860	2.5860	3.8344	3.8344	4.3869	4.3869	1.8324

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.544	C1	C2	C5	59.143
C1	C2	H7	129.660	C1	C3	C4	89.456
C1	C3	H8	115.300	C1	C3	H10	112.890
C1	C5	C2	61.714	C1	C5	H12	119.513
C1	C5	H13	115.376	C2	C1	C3	90.544
C2	C1	C5	59.143	C2	C1	H6	129.660
C2	C4	C3	89.456	C2	C4	H9	115.300
C2	C4	H11	112.890	C2	C5	H12	119.513
C2	C5	H13	115.376	C3	C1	C5	108.606
C3	C1	H6	125.717	C3	C4	H9	116.463
C3	C4	H11	111.336	C4	C2	C5	108.606
C4	C2	H7	125.717	C4	C3	H8	116.463
C4	C3	H10	111.336	C5	C1	H6	122.493
C5	C2	H7	122.493	H8	C3	H10	110.100
H9	C4	H11	110.100	H12	C5	H13	115.032

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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