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	hartrees
Energy at 0K	-231.863296
Energy at 298.15K	-231.872758
Nuclear repulsion energy	227.033709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3350	3044	21.37
2	A	3341	3036	38.82
3	A	3323	3019	14.95
4	A	3314	3011	19.09
5	A	3303	3001	14.82
6	A	3255	2957	27.09
7	A	3183	2892	39.86
8	A	3158	2869	62.23
9	A	1811	1645	2.54
10	A	1613	1466	3.16
11	A	1606	1459	0.80
12	A	1504	1366	6.38
13	A	1497	1360	0.67
14	A	1447	1315	1.65
15	A	1416	1286	0.13
16	A	1306	1186	3.50
17	A	1286	1168	1.14
18	A	1226	1114	0.70
19	A	1205	1094	0.65
20	A	1183	1075	0.83
21	A	1170	1063	6.74
22	A	1152	1047	7.87
23	A	1112	1010	1.08
24	A	1083	984	3.61
25	A	1062	964	2.54
26	A	999	907	12.84
27	A	991	901	0.42
28	A	957	869	5.57
29	A	875	795	8.61
30	A	834	758	3.96
31	A	824	749	13.00
32	A	807	733	47.75
33	A	733	666	1.39
34	A	525	477	5.64
35	A	379	344	0.71
36	A	306	278	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.649	-0.763	-0.386
C2	-0.782	-1.158	-0.030
C3	0.708	0.742	-0.440
C4	1.455	-0.010	0.629
C5	-1.462	0.177	0.201
C6	-0.662	1.197	-0.051
H7	1.182	-1.359	-1.104
H8	-1.253	-1.700	-0.846
H9	-0.832	-1.799	0.848
H10	1.260	1.272	-1.197
H11	1.094	0.060	1.641
H12	2.526	-0.072	0.536
H13	-2.477	0.259	0.548
H14	-0.932	2.234	0.039

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5265	1.5075	1.4987	2.3842	2.3817	1.0749	2.1702	2.1876	2.2741	2.2320	2.2029	3.4187	3.4150
C2	1.5265		2.4491	2.5992	1.5152	2.3573	2.2478	1.0881	1.0877	3.3812	2.7915	3.5277	2.2831	3.3954
C3	1.5075	2.4491		1.5060	2.3326	1.4954	2.2539	3.1588	3.2383	1.0755	2.2237	2.2186	3.3696	2.2684
C4	1.4987	2.5992	1.5060		2.9549	2.5306	2.2129	3.5171	2.9116	2.2393	1.0766	1.0766	3.9423	3.3292
C5	2.3842	1.5152	2.3326	2.9549		1.3204	3.3246	2.1595	2.1724	3.2498	2.9365	4.0104	1.0756	2.1304
C6	2.3817	2.3573	1.4954	2.5306	1.3204		3.3229	3.0618	3.1321	2.2389	2.6906	3.4815	2.1285	1.0755
H7	1.0749	2.2478	2.2539	2.2129	3.3246	3.3229		2.4726	2.8386	2.6334	3.0912	2.4812	4.3283	4.3227
H8	2.1702	1.0881	3.1588	3.5171	2.1595	3.0618	2.4726		1.7485	3.9079	3.8465	4.3418	2.6982	4.0455
H9	2.1876	1.0877	3.2383	2.9116	2.1724	3.1321	2.8386	1.7485		4.2405	2.7918	3.7890	2.6517	4.1141
H10	2.2741	3.3812	1.0755	2.2393	3.2498	2.2389	2.6334	3.9079	4.2405		3.0896	2.5321	4.2464	2.6942
H11	2.2320	2.7915	2.2237	1.0766	2.9365	2.6906	3.0912	3.8465	2.7918	3.0896		1.8131	3.7398	3.3755
H12	2.2029	3.5277	2.2186	1.0766	4.0104	3.4815	2.4812	4.3418	3.7890	2.5321	1.8131		5.0141	4.1859
H13	3.4187	2.2831	3.3696	3.9423	1.0756	2.1285	4.3283	2.6982	2.6517	4.2464	3.7398	5.0141		2.5583
H14	3.4150	3.3954	2.2684	3.3292	2.1304	1.0755	4.3227	4.0455	4.1141	2.6942	3.3755	4.1859	2.5583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	103.226	C1	C2	H8	111.091
C1	C2	H9	112.529	C1	C3	C4	59.648
C1	C3	C6	104.960	C1	C3	H10	122.496
C1	C4	C3	60.225	C1	C4	H11	119.242
C1	C4	H12	116.647	C2	C1	C3	107.649
C2	C1	C4	118.444	C2	C1	H7	118.526
C2	C5	C6	112.287	C2	C5	H13	122.673
C3	C1	C4	60.126	C3	C1	H7	120.649
C3	C4	H11	117.907	C3	C4	H12	117.454
C3	C6	C5	111.718	C3	C6	H14	123.016
C4	C1	H7	117.655	C4	C3	C6	114.950
C4	C3	H10	119.385	C5	C2	H8	111.031
C5	C2	H9	112.104	C5	C6	H14	125.234
C6	C3	H10	120.235	C6	C5	H13	125.030
H8	C2	H9	106.942	H11	C4	H12	114.716

All results from a given calculation for C₆H₈ (Bicyclo[3.1.0]hex-2-ene)

using model chemistry: HF/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	-0.206
2	C	-0.086
3	C	-0.173
4	C	-0.150
5	C	-0.169
6	C	-0.061
7	H	0.110
8	H	0.107
9	H	0.109
10	H	0.108
11	H	0.111
12	H	0.111
13	H	0.095
14	H	0.095

	x	y	z	Total
	0.120	-0.160	-0.118	0.232
CHELPG
AIM
ESP

	x	y	z
x	9.443	0.689	-0.208
y	0.689	9.079	-0.151
z	-0.208	-0.151	6.899

<r²>	130.396
(<r²>)^1/2	11.419

All results from a given calculation for C6H8 (Bicyclo[3.1.0]hex-2-ene)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for C₆H₈ (Bicyclo[3.1.0]hex-2-ene)