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	hartrees
Energy at 0K	-193.998054
Energy at 298.15K	-194.004343
Nuclear repulsion energy	160.567500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3255	3098	8.02
2	A	3245	3088	35.05
3	A	3236	3080	18.46
4	A	3229	3074	3.56
5	A	3219	3064	4.29
6	A	3135	2984	30.81
7	A	1628	1550	8.94
8	A	1487	1416	3.16
9	A	1332	1268	24.19
10	A	1321	1257	1.36
11	A	1232	1173	0.03
12	A	1221	1162	1.10
13	A	1123	1069	2.03
14	A	1093	1041	5.10
15	A	1053	1002	0.88
16	A	1048	997	2.35
17	A	1047	997	8.80
18	A	978	930	5.15
19	A	966	919	2.61
20	A	905	861	9.29
21	A	893	850	2.71
22	A	832	792	6.61
23	A	817	778	0.41
24	A	800	761	33.62
25	A	747	711	82.73
26	A	457	435	0.96
27	A	427	406	8.02

Atom	x (Å)	y (Å)	z (Å)
C1	-1.080	-0.672	0.097
C2	-1.081	0.672	0.097
C3	0.346	-0.758	-0.405
C4	0.346	0.758	-0.405
C5	1.255	-0.000	0.538
H6	-1.761	-1.424	0.480
H7	-1.762	1.424	0.480
H8	0.731	-1.397	-1.190
H9	0.731	1.397	-1.190
H10	1.035	-0.000	1.603
H11	2.313	-0.000	0.284

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3439	1.5144	2.0810	2.4697	1.0845	2.2368	2.3375	3.0363	2.6825	3.4648
C2	1.3439		2.0810	1.5144	2.4698	2.2368	1.0845	3.0362	2.3375	2.6827	3.4650
C3	1.5144	2.0810		1.5159	1.5136	2.3807	3.1598	1.0831	2.3256	2.2544	2.2185
C4	2.0810	1.5144	1.5159		1.5136	3.1599	2.3807	2.3256	1.0831	2.2544	2.2186
C5	2.4697	2.4698	1.5136	1.5136		3.3358	3.3360	2.2832	2.2832	1.0869	1.0887
H6	1.0845	2.2368	2.3807	3.1599	3.3358		2.8478	3.0007	4.1184	3.3329	4.3208
H7	2.2368	1.0845	3.1598	2.3807	3.3360	2.8478		4.1183	3.0006	3.3333	4.3211
H8	2.3375	3.0362	1.0831	2.3256	2.2832	3.0007	4.1183		2.7941	3.1376	2.5747
H9	3.0363	2.3375	2.3256	1.0831	2.2832	4.1184	3.0006	2.7941		3.1376	2.5747
H10	2.6825	2.6827	2.2544	2.2544	1.0869	3.3329	3.3333	3.1376	3.1376		1.8363
H11	3.4648	3.4650	2.2185	2.2186	1.0887	4.3208	4.3211	2.5747	2.5747	1.8363

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.257	C1	C2	H7	133.896
C1	C3	C4	86.746	C1	C3	C5	109.297
C1	C3	H8	127.513	C2	C1	C3	93.255
C2	C1	H6	133.899	C2	C4	C3	86.742
C2	C4	C5	109.305	C2	C4	H9	127.509
C3	C1	H6	132.001	C3	C4	C5	59.949
C3	C4	H9	126.160	C3	C5	C4	60.102
C3	C5	H10	119.293	C3	C5	H11	116.017
C4	C2	H7	131.998	C4	C3	C5	59.950
C4	C3	H8	126.162	C4	C5	H10	119.294
C4	C5	H11	116.018	C5	C3	H8	122.239
C5	C4	H9	122.237	H10	C5	H11	115.130

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

using model chemistry: mPW1PW91/6-31+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	-0.173
2	C	-0.173
3	C	-0.114
4	C	-0.114
5	C	-0.395
6	H	0.149
7	H	0.149
8	H	0.166
9	H	0.166
10	H	0.173
11	H	0.165

	x	y	z	Total
	0.501	-0.000	0.025	0.502
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	87.361
(<r²>)^1/2	9.347

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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