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	hartrees
Energy at 0K	-193.804362
Energy at 298.15K	-193.810465
Nuclear repulsion energy	159.560857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3133	3101	8.56
2	A	3123	3091	67.03
3	A	3113	3080	1.94
4	A	3023	2992	42.36
5	A	1559	1542	5.07
6	A	1433	1418	2.84
7	A	1262	1249	1.42
8	A	1175	1163	1.33
9	A	1082	1071	2.04
10	A	1010	999	1.99
11	A	941	931	3.97
12	A	839	830	3.07
13	A	781	772	0.49
14	A	707	699	69.25
15	A	405	401	7.65
16	A	3119	3086	24.90
17	A	3092	3060	14.02
18	A	1274	1261	23.36
19	A	1179	1167	0.17
20	A	1041	1030	7.32
21	A	1011	1001	0.14
22	A	999	988	5.50
23	A	925	915	1.51
24	A	849	840	7.76
25	A	800	791	6.58
26	A	768	760	32.33
27	A	440	436	1.24

Atom	x (Å)	y (Å)	z (Å)
C1	-0.269	1.058	0.676
C2	-0.269	1.058	-0.676
C3	-0.269	-0.461	0.765
C4	-0.269	-0.461	-0.765
C5	0.927	-1.013	0.000
H6	-0.116	1.833	1.433
H7	-0.116	1.833	-1.433
H8	-0.893	-1.092	1.400
H9	-0.893	-1.092	-1.400
H10	1.868	-0.454	0.000
H11	1.036	-2.105	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3514	1.5215	2.0933	2.4853	1.0939	2.2513	2.3527	3.0526	2.7039	3.4876
C2	1.3514		2.0933	1.5215	2.4853	2.2513	1.0939	3.0526	2.3527	2.7039	3.4876
C3	1.5215	2.0933		1.5294	1.5231	2.3938	3.1800	1.0912	2.3394	2.2699	2.2340
C4	2.0933	1.5215	1.5294		1.5231	3.1800	2.3938	2.3394	1.0912	2.2699	2.2340
C5	2.4853	2.4853	1.5231	1.5231		3.3525	3.3525	2.2973	2.2973	1.0948	1.0970
H6	1.0939	2.2513	2.3938	3.1800	3.3525		2.8652	3.0261	4.1448	3.3496	4.3456
H7	2.2513	1.0939	3.1800	2.3938	3.3525	2.8652		4.1448	3.0261	3.3496	4.3456
H8	2.3527	3.0526	1.0912	2.3394	2.2973	3.0261	4.1448		2.7997	3.1607	2.5899
H9	3.0526	2.3527	2.3394	1.0912	2.2973	4.1448	3.0261	2.7997		3.1607	2.5899
H10	2.7039	2.7039	2.2699	2.2699	1.0948	3.3496	3.3496	3.1607	3.1607		1.8483
H11	3.4876	3.4876	2.2340	2.2340	1.0970	4.3456	4.3456	2.5899	2.5899	1.8483

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.354	C1	C2	H7	133.784
C1	C3	C4	86.646	C1	C3	C5	109.428
C1	C3	H8	127.674	C2	C1	C3	93.354
C2	C1	H6	133.784	C2	C4	C3	86.646
C2	C4	C5	109.428	C2	C4	H9	127.674
C3	C1	H6	131.805	C3	C4	C5	59.864
C3	C4	H9	125.595	C3	C5	C4	60.272
C3	C5	H10	119.336	C3	C5	H11	116.046
C4	C2	H7	131.805	C4	C3	C5	59.864
C4	C3	H8	125.595	C4	C5	H10	119.336
C4	C5	H11	116.046	C5	C3	H8	122.111
C5	C4	H9	122.111	H10	C5	H11	114.982

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

using model chemistry: PBEPBE/6-311G*

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	-0.162
2	C	-0.162
3	C	-0.232
4	C	-0.232
5	C	-0.405
6	H	0.177
7	H	0.177
8	H	0.202
9	H	0.202
10	H	0.217
11	H	0.217

	x	y	z	Total
	0.150	-0.420	0.000	0.446
CHELPG
AIM
ESP

	x	y	z
x	6.139	-0.484	0.000
y	-0.484	8.394	0.000
z	0.000	0.000	7.720

<r²>	88.220
(<r²>)^1/2	9.393

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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