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	hartrees
Energy at 0K	-193.294987
Energy at 298.15K	-193.304188
HF Energy	-192.838069
Nuclear repulsion energy	173.724759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3278	3129	17.37
2	A'	3259	3111	1.49
3	A'	3185	3041	35.03
4	A'	3168	3025	11.59
5	A'	3117	2976	34.01
6	A'	1586	1515	1.39
7	A'	1558	1487	3.02
8	A'	1374	1312	0.23
9	A'	1270	1212	2.97
10	A'	1234	1178	0.61
11	A'	1129	1078	2.56
12	A'	1058	1010	0.37
13	A'	988	943	9.72
14	A'	966	922	0.39
15	A'	892	851	1.63
16	A'	795	759	1.60
17	A'	746	712	6.68
18	A'	432	413	0.84
19	A"	3259	3112	10.89
20	A"	3165	3022	0.03
21	A"	3108	2968	31.92
22	A"	1567	1496	0.44
23	A"	1322	1262	4.16
24	A"	1314	1255	5.71
25	A"	1266	1209	0.33
26	A"	1171	1118	3.80
27	A"	1140	1089	4.60
28	A"	1119	1069	0.47
29	A"	1002	956	3.45
30	A"	945	902	0.50
31	A"	778	743	13.34
32	A"	699	667	0.10
33	A"	258	246	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	-0.254	-0.555	0.784
C2	-0.254	-0.555	-0.784
C3	-0.254	1.002	0.799
C4	-0.254	1.002	-0.799
C5	0.968	-1.035	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	-0.435	0.000
H13	1.129	-2.109	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5688	1.5568	2.2206	1.5293	1.0801	2.4064	2.2528	3.0186	2.2229	2.9489	2.2706	2.2229
C2	1.5688		2.2206	1.5568	1.5293	2.4064	1.0801	3.0186	2.2528	2.9489	2.2229	2.2706	2.2229
C3	1.5568	2.2206		1.5984	2.5061	2.3566	3.2039	1.0938	2.3042	1.0927	2.2405	2.6887	3.4965
C4	2.2206	1.5568	1.5984		2.5061	3.2039	2.3566	2.3042	1.0938	2.2405	1.0927	2.6887	3.4965
C5	1.5293	1.5293	2.5061	2.5061		2.2980	2.2980	2.8342	2.8342	3.4772	3.4772	1.0864	1.0856
H6	1.0801	2.4064	2.3566	3.2039	2.2980		2.9477	3.0074	4.0779	2.6590	3.7584	3.1352	2.5858
H7	2.4064	1.0801	3.2039	2.3566	2.2980	2.9477		4.0779	3.0074	3.7584	2.6590	3.1352	2.5858
H8	2.2528	3.0186	1.0938	2.3042	2.8342	3.0074	4.0779		2.5732	1.7921	3.0612	2.6196	3.8333
H9	3.0186	2.2528	2.3042	1.0938	2.8342	4.0779	3.0074	2.5732		3.0612	1.7921	2.6196	3.8333
H10	2.2229	2.9489	1.0927	2.2405	3.4772	2.6590	3.7584	1.7921	3.0612		2.3936	3.7698	4.3861
H11	2.9489	2.2229	2.2405	1.0927	3.4772	3.7584	2.6590	3.0612	1.7921	2.3936		3.7698	4.3861
H12	2.2706	2.2706	2.6887	2.6887	1.0864	3.1352	3.1352	2.6196	2.6196	3.7698	3.7698		1.8321
H13	2.2229	2.2229	3.4965	3.4965	1.0856	2.5858	2.5858	3.8333	3.8333	4.3861	4.3861	1.8321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.545	C1	C2	C5	59.144
C1	C2	H7	129.669	C1	C3	C4	89.455
C1	C3	H8	115.299	C1	C3	H10	112.897
C1	C5	C2	61.712	C1	C5	H12	119.508
C1	C5	H13	115.386	C2	C1	C3	90.545
C2	C1	C5	59.144	C2	C1	H6	129.669
C2	C4	C3	89.455	C2	C4	H9	115.299
C2	C4	H11	112.897	C2	C5	H12	119.508
C2	C5	H13	115.386	C3	C1	C5	108.592
C3	C1	H6	125.718	C3	C4	H9	116.462
C3	C4	H11	111.339	C4	C2	C5	108.592
C4	C2	H7	125.718	C4	C3	H8	116.462
C4	C3	H10	111.339	C5	C1	H6	122.500
C5	C2	H7	122.500	H8	C3	H10	110.096
H9	C4	H11	110.096	H12	C5	H13	115.027

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

using model chemistry: MP2=FULL/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=FULL/3-21G

States and conformations

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