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	hartrees
Energy at 0K	-193.790094
Energy at 298.15K	-193.796374
HF Energy	-193.576074
Nuclear repulsion energy	160.190795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	3089	7.18
2	A'	3247	3082	47.49
3	A'	3235	3071	2.49
4	A'	3147	2987	29.70
5	A'	1610	1528	4.67
6	A'	1519	1442	0.69
7	A'	1325	1258	0.62
8	A'	1226	1164	1.49
9	A'	1134	1076	1.35
10	A'	1057	1003	1.92
11	A'	983	933	2.91
12	A'	883	838	3.61
13	A'	826	784	0.02
14	A'	748	710	58.88
15	A'	428	407	5.49
16	A"	3240	3075	20.24
17	A"	3220	3057	6.93
18	A"	1344	1276	19.74
19	A"	1249	1185	0.08
20	A"	1113	1056	4.63
21	A"	1073	1018	4.88
22	A"	1061	1007	0.89
23	A"	963	914	2.71
24	A"	889	844	10.49
25	A"	833	791	2.89
26	A"	799	759	26.41
27	A"	460	437	1.98

Atom	x (Å)	y (Å)	z (Å)
C1	-0.264	1.057	0.672
C2	-0.264	1.057	-0.672
C3	-0.264	-0.465	0.764
C4	-0.264	-0.465	-0.764
C5	0.923	-1.010	0.000
H6	-0.191	1.811	1.446
H7	-0.191	1.811	-1.446
H8	-0.872	-1.049	1.445
H9	-0.872	-1.049	-1.445
H10	1.871	-0.469	0.000
H11	1.044	-2.094	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3446	1.5245	2.0924	2.4759	1.0835	2.2502	2.3234	3.0469	2.7084	3.4771
C2	1.3446		2.0924	1.5245	2.4759	2.2502	1.0835	3.0469	2.3234	2.7084	3.4771
C3	1.5245	2.0924		1.5276	1.5130	2.3777	3.1736	1.0836	2.3639	2.2673	2.2244
C4	2.0924	1.5245	1.5276		1.5130	3.1736	2.3777	2.3639	1.0836	2.2673	2.2244
C5	2.4759	2.4759	1.5130	1.5130		3.3604	3.3604	2.3048	2.3048	1.0912	1.0913
H6	1.0835	2.2502	2.3777	3.1736	3.3604		2.8926	2.9397	4.1232	3.3976	4.3441
H7	2.2502	1.0835	3.1736	2.3777	3.3604	2.8926		4.1232	2.9397	3.3976	4.3441
H8	2.3234	3.0469	1.0836	2.3639	2.3048	2.9397	4.1232		2.8896	3.1540	2.6177
H9	3.0469	2.3234	2.3639	1.0836	2.3048	4.1232	2.9397	2.8896		3.1540	2.6177
H10	2.7084	2.7084	2.2673	2.2673	1.0912	3.3976	3.3976	3.1540	3.1540		1.8238
H11	3.4771	3.4771	2.2244	2.2244	1.0913	4.3441	4.3441	2.6177	2.6177	1.8238

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.440	C1	C2	H7	135.591
C1	C3	C4	86.560	C1	C3	C5	109.202
C1	C3	H8	125.113	C2	C1	C3	93.440
C2	C1	H6	135.591	C2	C4	C3	86.560
C2	C4	C5	109.202	C2	C4	H9	125.113
C3	C1	H6	130.728	C3	C4	C5	59.680
C3	C4	H9	128.940	C3	C5	C4	60.639
C3	C5	H10	120.201	C3	C5	H11	116.390
C4	C2	H7	130.728	C4	C3	C5	59.680
C4	C3	H8	128.940	C4	C5	H10	120.201
C4	C5	H11	116.390	C5	C3	H8	124.329
C5	C4	H9	124.329	H10	C5	H11	113.365

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

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	C	-0.139
2	C	-0.139
3	C	-0.182
4	C	-0.182
5	C	-0.320
6	H	0.152
7	H	0.152
8	H	0.166
9	H	0.166
10	H	0.168
11	H	0.159

	x	y	z
x	5.241	-0.400	0.000
y	-0.400	7.482	0.000
z	0.000	0.000	7.011

<r²>	87.428
(<r²>)^1/2	9.350

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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