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	hartrees
Energy at 0K	-233.262622
Energy at 298.15K	-233.271490
HF Energy	-233.262622
Nuclear repulsion energy	223.803552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3131	3106	11.27
2	A	3129	3104	47.61
3	A	3106	3081	15.44
4	A	3100	3075	19.27
5	A	3085	3060	18.40
6	A	3049	3025	26.82
7	A	2958	2934	30.86
8	A	2935	2911	54.47
9	A	1617	1604	3.18
10	A	1473	1461	1.08
11	A	1460	1448	0.97
12	A	1360	1349	1.96
13	A	1337	1326	0.53
14	A	1283	1273	0.34
15	A	1277	1266	0.20
16	A	1179	1169	2.13
17	A	1158	1148	1.36
18	A	1110	1101	0.26
19	A	1075	1066	0.24
20	A	1060	1051	0.80
21	A	1047	1038	3.56
22	A	1025	1017	8.22
23	A	986	978	2.78
24	A	957	950	0.13
25	A	918	911	2.18
26	A	906	899	0.95
27	A	899	891	8.31
28	A	862	855	0.99
29	A	786	780	6.85
30	A	751	745	8.73
31	A	742	736	0.53
32	A	710	704	29.36
33	A	660	654	1.47
34	A	470	466	4.53
35	A	346	343	0.75
36	A	277	275	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.660	-0.769	-0.408
C2	-0.789	-1.164	-0.032
C3	0.714	0.764	-0.428
C4	1.481	-0.025	0.625
C5	-1.489	0.170	0.207
C6	-0.674	1.215	-0.048
H7	1.175	-1.380	-1.154
H8	-1.284	-1.749	-0.833
H9	-0.819	-1.803	0.873
H10	1.267	1.341	-1.178
H11	1.141	0.014	1.667
H12	2.574	-0.076	0.546
H13	-2.528	0.231	0.545
H14	-0.940	2.272	0.038

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5480	1.5340	1.5146	2.4237	2.4172	1.0938	2.2183	2.2126	2.3270	2.2690	2.2485	3.4739	3.4647
C2	1.5480		2.4767	2.6237	1.5248	2.3818	2.2727	1.1084	1.1082	3.4377	2.8283	3.5821	2.3027	3.4401
C3	1.5340	2.4767		1.5230	2.3685	1.5080	2.3099	3.2363	3.2611	1.0961	2.2664	2.2619	3.4268	2.2863
C4	1.5146	2.6237	1.5230		3.0055	2.5752	2.2569	3.5701	2.9182	2.2720	1.0972	1.0972	4.0181	3.3883
C5	2.4237	1.5248	2.3685	3.0055		1.3499	3.3691	2.1919	2.1872	3.2996	3.0120	4.0847	1.0946	2.1796
C6	2.4172	2.3818	1.5080	2.5752	1.3499		3.3729	3.1267	3.1588	2.2498	2.7706	3.5452	2.1814	1.0935
H7	1.0938	2.2727	2.3099	2.2569	3.3691	3.3729		2.5079	2.8748	2.7225	3.1467	2.5589	4.3814	4.3854
H8	2.2183	1.1084	3.2363	3.5701	2.1919	3.1267	2.5079		1.7684	4.0224	3.9036	4.4260	2.7141	4.1290
H9	2.2126	1.1082	3.2611	2.9182	2.1872	3.1588	2.8748	1.7684		4.2949	2.7882	3.8217	2.6768	4.1618
H10	2.3270	3.4377	1.0961	2.2720	3.2996	2.2498	2.7225	4.0224	4.2949		3.1424	2.5866	4.3136	2.6866
H11	2.2690	2.8283	2.2664	1.0972	3.0120	2.7706	3.1467	3.9036	2.7882	3.1424		1.8218	3.8428	3.4763
H12	2.2485	3.5821	2.2619	1.0972	4.0847	3.5452	2.5589	4.4260	3.8217	2.5866	1.8218		5.1115	4.2569
H13	3.4739	2.3027	3.4268	4.0181	1.0946	2.1814	4.3814	2.7141	2.6768	4.3136	3.8428	5.1115		2.6356
H14	3.4647	3.4401	2.2863	3.3883	2.1796	1.0935	4.3854	4.1290	4.1618	2.6866	3.4763	4.2569	2.6356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	104.136	C1	C2	H8	112.187
C1	C2	H9	111.749	C1	C3	C4	59.399
C1	C3	C6	105.233	C1	C3	H10	123.585
C1	C4	C3	60.662	C1	C4	H11	119.767
C1	C4	H12	117.951	C2	C1	C3	106.951
C2	C1	C4	117.888	C2	C1	H7	117.663
C2	C5	C6	111.758	C2	C5	H13	122.209
C3	C1	C4	59.939	C3	C1	H7	122.151
C3	C4	H11	118.857	C3	C4	H12	118.462
C3	C6	C5	111.824	C3	C6	H14	122.196
C4	C1	H7	118.931	C4	C3	C6	116.343
C4	C3	H10	119.441	C5	C2	H8	111.722
C5	C2	H9	111.361	C5	C6	H14	125.943
C6	C3	H10	118.675	C6	C5	H13	126.032
H8	C2	H9	105.837	H11	C4	H12	112.242

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.109
2	C	-0.258
3	C	-0.132
4	C	-0.273
5	C	-0.113
6	C	-0.053
7	H	0.114
8	H	0.126
9	H	0.129
10	H	0.113
11	H	0.132
12	H	0.126
13	H	0.097
14	H	0.098

	x	y	z
x	9.768	0.506	-0.381
y	0.506	9.037	-0.087
z	-0.381	-0.087	6.607

<r²>	133.103
(<r²>)^1/2	11.537

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

using model chemistry: BLYP/6-31G*

States and conformations

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