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	hartrees
Energy at 0K	-193.783997
Energy at 298.15K	-193.790102
Nuclear repulsion energy	159.321691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3153	3117	2.86
2	A	3145	3110	49.73
3	A	3130	3095	3.76
4	A	3037	3003	35.24
5	A	1557	1539	8.55
6	A	1428	1412	2.99
7	A	1261	1247	1.59
8	A	1173	1159	1.23
9	A	1083	1070	2.18
10	A	1011	1000	2.22
11	A	941	930	4.95
12	A	843	833	2.63
13	A	784	775	0.40
14	A	711	703	78.19
15	A	407	402	7.73
16	A	3139	3103	20.13
17	A	3117	3081	7.65
18	A	1275	1261	23.63
19	A	1180	1167	0.04
20	A	1042	1030	6.07
21	A	1006	995	0.28
22	A	998	986	8.11
23	A	926	916	1.24
24	A	851	841	8.79
25	A	797	788	7.13
26	A	768	759	30.76
27	A	437	432	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	-0.270	1.058	0.679
C2	-0.270	1.058	-0.679
C3	-0.270	-0.462	0.765
C4	-0.270	-0.462	-0.765
C5	0.931	-1.013	0.000
H6	-0.123	1.833	1.438
H7	-0.123	1.833	-1.438
H8	-0.888	-1.093	1.407
H9	-0.888	-1.093	-1.407
H10	1.871	-0.450	0.000
H11	1.041	-2.106	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3573	1.5224	2.0960	2.4884	1.0944	2.2584	2.3541	3.0596	2.7054	3.4917
C2	1.3573		2.0960	1.5224	2.4884	2.2584	1.0944	3.0596	2.3541	2.7054	3.4917
C3	1.5224	2.0960		1.5291	1.5263	2.3958	3.1838	1.0925	2.3444	2.2736	2.2377
C4	2.0960	1.5224	1.5291		1.5263	3.1838	2.3958	2.3444	1.0925	2.2736	2.2377
C5	2.4884	2.4884	1.5263	1.5263		3.3579	3.3579	2.3007	2.3007	1.0966	1.0984
H6	1.0944	2.2584	2.3958	3.1838	3.3579		2.8752	3.0248	4.1521	3.3545	4.3516
H7	2.2584	1.0944	3.1838	2.3958	3.3579	2.8752		4.1521	3.0248	3.3545	4.3516
H8	2.3541	3.0596	1.0925	2.3444	2.3007	3.0248	4.1521		2.8137	3.1635	2.5937
H9	3.0596	2.3541	2.3444	1.0925	2.3007	4.1521	3.0248	2.8137		3.1635	2.5937
H10	2.7054	2.7054	2.2736	2.2736	1.0966	3.3545	3.3545	3.1635	3.1635		1.8527
H11	3.4917	3.4917	2.2377	2.2377	1.0984	4.3516	4.3516	2.5937	2.5937	1.8527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.235	C1	C2	H7	133.906
C1	C3	C4	86.765	C1	C3	C5	109.416
C1	C3	H8	127.616	C2	C1	C3	93.235
C2	C1	H6	133.906	C2	C4	C3	86.765
C2	C4	C5	109.416	C2	C4	H9	127.616
C3	C1	H6	131.877	C3	C4	C5	59.939
C3	C4	H9	126.008	C3	C5	C4	60.122
C3	C5	H10	119.281	C3	C5	H11	116.021
C4	C2	H7	131.877	C4	C3	C5	59.939
C4	C3	H8	126.008	C4	C5	H10	119.281
C4	C5	H11	116.021	C5	C3	H8	122.050
C5	C4	H9	122.050	H10	C5	H11	115.134

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

using model chemistry: PBEPBE/6-31+G**

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	-0.147
2	C	-0.147
3	C	-0.114
4	C	-0.114
5	C	-0.400
6	H	0.136
7	H	0.136
8	H	0.158
9	H	0.158
10	H	0.171
11	H	0.163

	x	y	z	Total
	0.187	-0.506	0.000	0.539
CHELPG
AIM
ESP

	x	y	z
x	7.222	-0.573	0.000
y	-0.573	9.044	0.000
z	0.000	0.000	8.507

<r²>	88.676
(<r²>)^1/2	9.417

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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