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	hartrees
Energy at 0K	-194.664759
Energy at 298.15K	-194.673877
HF Energy	-193.945295
Nuclear repulsion energy	174.997914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3250	3117	16.82
2	A'	3227	3095	7.14
3	A'	3162	3033	41.34
4	A'	3132	3003	19.20
5	A'	3082	2955	60.46
6	A'	1497	1436	1.02
7	A'	1475	1415	2.31
8	A'	1361	1305	1.09
9	A'	1231	1181	1.00
10	A'	1205	1156	0.02
11	A'	1125	1079	0.78
12	A'	1026	984	0.77
13	A'	987	947	3.16
14	A'	942	903	5.43
15	A'	892	856	2.00
16	A'	780	748	0.46
17	A'	766	734	9.37
18	A'	409	392	0.36
19	A"	3218	3086	16.87
20	A"	3144	3016	0.23
21	A"	3073	2947	45.26
22	A"	1469	1408	0.49
23	A"	1296	1243	5.44
24	A"	1241	1190	1.53
25	A"	1216	1166	0.07
26	A"	1107	1062	0.17
27	A"	1052	1009	2.89
28	A"	1036	993	0.34
29	A"	994	954	4.66
30	A"	928	890	0.32
31	A"	802	769	14.88
32	A"	664	637	0.13
33	A"	252	241	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	-0.249	-0.544	0.775
C2	-0.249	-0.544	-0.775
C3	-0.249	0.994	0.785
C4	-0.249	0.994	-0.785
C5	0.954	-1.036	0.000
H6	-0.793	-1.196	1.461
H7	-0.793	-1.196	-1.461
H8	0.613	1.464	1.287
H9	0.613	1.464	-1.287
H10	-1.178	1.421	1.188
H11	-1.178	1.421	-1.188
H12	1.877	-0.444	0.000
H13	1.095	-2.120	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5495	1.5376	2.1905	1.5132	1.0921	2.3918	2.2443	3.0041	2.2128	2.9289	2.2646	2.2114
C2	1.5495		2.1905	1.5376	1.5132	2.3918	1.0921	3.0041	2.2443	2.9289	2.2128	2.2646	2.2114
C3	1.5376	2.1905		1.5710	2.4867	2.3556	3.1843	1.1026	2.2932	1.0993	2.2230	2.6835	3.4809
C4	2.1905	1.5376	1.5710		2.4867	3.1843	2.3556	2.2932	1.1026	2.2230	1.0993	2.6835	3.4809
C5	1.5132	1.5132	2.4867	2.4867		2.2829	2.2829	2.8322	2.8322	3.4636	3.4636	1.0963	1.0928
H6	1.0921	2.3918	2.3556	3.1843	2.2829		2.9224	3.0141	4.0750	2.6601	3.7445	3.1347	2.5596
H7	2.3918	1.0921	3.1843	2.3556	2.2829	2.9224		4.0750	3.0141	3.7445	2.6601	3.1347	2.5596
H8	2.2443	3.0041	1.1026	2.2932	2.8322	3.0141	4.0750		2.5735	1.7947	3.0556	2.6250	3.8379
H9	3.0041	2.2443	2.2932	1.1026	2.8322	4.0750	3.0141	2.5735		3.0556	1.7947	2.6250	3.8379
H10	2.2128	2.9289	1.0993	2.2230	3.4636	2.6601	3.7445	1.7947	3.0556		2.3764	3.7712	4.3725
H11	2.9289	2.2128	2.2230	1.0993	3.4636	3.7445	2.6601	3.0556	1.7947	2.3764		3.7712	4.3725
H12	2.2646	2.2646	2.6835	2.6835	1.0963	3.1347	3.1347	2.6250	2.6250	3.7712	3.7712		1.8491
H13	2.2114	2.2114	3.4809	3.4809	1.0928	2.5596	2.5596	3.8379	3.8379	4.3725	4.3725	1.8491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.400	C1	C2	C5	59.202
C1	C2	H7	128.944	C1	C3	C4	89.600
C1	C3	H8	115.445	C1	C3	H10	113.050
C1	C5	C2	61.595	C1	C5	H12	119.561
C1	C5	H13	115.166	C2	C1	C3	90.400
C2	C1	C5	59.202	C2	C1	H6	128.944
C2	C4	C3	89.600	C2	C4	H9	115.445
C2	C4	H11	113.050	C2	C5	H12	119.561
C2	C5	H13	115.166	C3	C1	C5	109.194
C3	C1	H6	126.387	C3	C4	H9	117.040
C3	C4	H11	111.489	C4	C2	C5	109.194
C4	C2	H7	126.387	C4	C3	H8	117.040
C4	C3	H10	111.489	C5	C1	H6	121.548
C5	C2	H7	121.548	H8	C3	H10	109.179
H9	C4	H11	109.179	H12	C5	H13	115.273

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

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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