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	hartrees
Energy at 0K	-193.407569
Energy at 298.15K	-193.413925
HF Energy	-192.709790
Nuclear repulsion energy	160.342886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3284	3081	8.48
2	A'	3274	3072	34.26
3	A'	3262	3061	2.53
4	A'	3175	2979	22.52
5	A'	1653	1551	3.79
6	A'	1537	1443	1.16
7	A'	1360	1276	0.60
8	A'	1247	1170	1.49
9	A'	1149	1078	1.38
10	A'	1073	1007	1.74
11	A'	998	936	2.96
12	A'	925	868	3.79
13	A'	846	794	0.16
14	A'	757	710	62.97
15	A'	438	411	6.17
16	A"	3266	3064	16.10
17	A"	3249	3049	4.28
18	A"	1365	1281	20.81
19	A"	1268	1190	0.32
20	A"	1133	1063	5.02
21	A"	1102	1034	5.08
22	A"	1080	1013	1.97
23	A"	982	921	2.33
24	A"	903	847	9.30
25	A"	849	796	4.01
26	A"	815	765	26.00
27	A"	468	439	1.94

Atom	x (Å)	y (Å)	z (Å)
C1	-0.265	1.055	0.670
C2	-0.265	1.055	-0.670
C3	-0.265	-0.467	0.760
C4	-0.265	-0.467	-0.760
C5	0.926	-1.003	0.000
H6	-0.188	1.812	1.442
H7	-0.188	1.812	-1.442
H8	-0.874	-1.056	1.435
H9	-0.874	-1.056	-1.435
H10	1.868	-0.456	0.000
H11	1.051	-2.085	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3391	1.5251	2.0881	2.4706	1.0843	2.2444	2.3267	3.0425	2.6984	3.4699
C2	1.3391		2.0881	1.5251	2.4706	2.2444	1.0843	3.0425	2.3267	2.6984	3.4699
C3	1.5251	2.0881		1.5191	1.5110	2.3806	3.1699	1.0836	2.3525	2.2643	2.2192
C4	2.0881	1.5251	1.5191		1.5110	3.1699	2.3806	2.3525	1.0836	2.2643	2.2192
C5	2.4706	2.4706	1.5110	1.5110		3.3535	3.3535	2.3031	2.3031	1.0893	1.0891
H6	1.0843	2.2444	2.3806	3.1699	3.3535		2.8839	2.9490	4.1200	3.3837	4.3360
H7	2.2444	1.0843	3.1699	2.3806	3.3535	2.8839		4.1200	2.9490	3.3837	4.3360
H8	2.3267	3.0425	1.0836	2.3525	2.3031	2.9490	4.1200		2.8702	3.1528	2.6123
H9	3.0425	2.3267	2.3525	1.0836	2.3031	4.1200	2.9490	2.8702		3.1528	2.6123
H10	2.6984	2.6984	2.2643	2.2643	1.0893	3.3837	3.3837	3.1528	3.1528		1.8229
H11	3.4699	3.4699	2.2192	2.2192	1.0891	4.3360	4.3360	2.6123	2.6123	1.8229

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.382	C1	C2	H7	135.429
C1	C3	C4	86.618	C1	C3	C5	108.926
C1	C3	H8	125.381	C2	C1	C3	93.382
C2	C1	H6	135.429	C2	C4	C3	86.618
C2	C4	C5	108.926	C2	C4	H9	125.381
C3	C1	H6	130.914	C3	C4	C5	59.823
C3	C4	H9	128.571	C3	C5	C4	60.354
C3	C5	H10	120.230	C3	C5	H11	116.251
C4	C2	H7	130.914	C4	C3	C5	59.823
C4	C3	H8	128.571	C4	C5	H10	120.230
C4	C5	H11	116.251	C5	C3	H8	124.342
C5	C4	H9	124.342	H10	C5	H11	113.606

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

using model chemistry: MP3=FULL/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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All results from a given calculation for C5H6 (Bicyclo[2.1.0]pent-2-ene)

using model chemistry: MP3=FULL/6-31G*

States and conformations

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