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	hartrees
Energy at 0K	-193.437406
Energy at 298.15K	-193.443701
HF Energy	-192.724272
Nuclear repulsion energy	159.006979

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3254	3113	3.35
2	A	3245	3105	38.71
3	A	3235	3095	0.83
4	A	3139	3003	23.44
5	A	1618	1548	3.91
6	A	1486	1422	1.22
7	A	1328	1271	0.28
8	A	1218	1165	0.84
9	A	1114	1066	1.43
10	A	1036	991	1.55
11	A	970	928	3.31
12	A	897	858	2.81
13	A	810	775	0.19
14	A	740	708	57.79
15	A	426	408	5.57
16	A	3237	3097	13.00
17	A	3216	3077	4.94
18	A	1335	1277	18.65
19	A	1227	1174	0.26
20	A	1104	1056	3.39
21	A	1057	1011	1.79
22	A	1049	1004	3.69
23	A	958	916	2.14
24	A	895	856	7.41
25	A	833	797	3.26
26	A	797	762	25.74
27	A	458	438	1.56

Atom	x (Å)	y (Å)	z (Å)
C1	-0.270	1.061	0.679
C2	-0.270	1.061	-0.679
C3	-0.270	-0.467	0.767
C4	-0.270	-0.467	-0.767
C5	0.932	-1.011	0.000
H6	-0.127	1.840	1.436
H7	-0.127	1.840	-1.436
H8	-0.885	-1.097	1.414
H9	-0.885	-1.097	-1.414
H10	1.871	-0.444	0.000
H11	1.041	-2.104	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3577	1.5310	2.1039	2.4899	1.0957	2.2581	2.3621	3.0692	2.7042	3.4932
C2	1.3577		2.1039	1.5310	2.4899	2.2581	1.0957	3.0692	2.3621	2.7042	3.4932
C3	1.5310	2.1039		1.5336	1.5260	2.4069	3.1933	1.0932	2.3523	2.2747	2.2335
C4	2.1039	1.5310	1.5336		1.5260	3.1933	2.4069	2.3523	1.0932	2.2747	2.2335
C5	2.4899	2.4899	1.5260	1.5260		3.3636	3.3636	2.3046	2.3046	1.0970	1.0991
H6	1.0957	2.2581	2.4069	3.1933	3.3636		2.8715	3.0343	4.1628	3.3579	4.3577
H7	2.2581	1.0957	3.1933	2.4069	3.3636	2.8715		4.1628	3.0343	3.3579	4.3577
H8	2.3621	3.0692	1.0932	2.3523	2.3046	3.0343	4.1628		2.8286	3.1666	2.5936
H9	3.0692	2.3621	2.3523	1.0932	2.3046	4.1628	3.0343	2.8286		3.1666	2.5936
H10	2.7042	2.7042	2.2747	2.2747	1.0970	3.3579	3.3579	3.1666	3.1666		1.8562
H11	3.4932	3.4932	2.2335	2.2335	1.0991	4.3577	4.3577	2.5936	2.5936	1.8562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.294	C1	C2	H7	133.696
C1	C3	C4	86.706	C1	C3	C5	109.073
C1	C3	H8	127.558	C2	C1	C3	93.294
C2	C1	H6	133.696	C2	C4	C3	86.706
C2	C4	C5	109.073	C2	C4	H9	127.558
C3	C1	H6	132.091	C3	C4	C5	59.834
C3	C4	H9	126.319	C3	C5	C4	60.332
C3	C5	H10	119.373	C3	C5	H11	115.647
C4	C2	H7	132.091	C4	C3	C5	59.834
C4	C3	H8	126.319	C4	C5	H10	119.373
C4	C5	H11	115.647	C5	C3	H8	122.392
C5	C4	H9	122.392	H10	C5	H11	115.394

All results from a given calculation for C₅H₆ (Bicyclo[2.1.0]pent-2-ene)

using model chemistry: CCD/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 C5H6 (Bicyclo[2.1.0]pent-2-ene)

using model chemistry: CCD/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₆ (Bicyclo[2.1.0]pent-2-ene)