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	hartrees
Energy at 0K	-231.890169
Energy at 298.15K	-231.899615
HF Energy	-231.890169
Nuclear repulsion energy	227.474275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3347	3028	16.34
2	A	3339	3020	36.26
3	A	3321	3004	14.15
4	A	3313	2997	16.58
5	A	3302	2987	13.76
6	A	3255	2944	26.19
7	A	3176	2873	32.09
8	A	3154	2853	60.88
9	A	1801	1629	5.92
10	A	1614	1460	3.23
11	A	1606	1453	1.05
12	A	1507	1363	5.98
13	A	1495	1353	0.67
14	A	1446	1308	1.46
15	A	1422	1286	0.12
16	A	1306	1182	3.42
17	A	1285	1163	0.88
18	A	1229	1112	0.66
19	A	1209	1093	0.56
20	A	1184	1071	0.53
21	A	1171	1059	6.19
22	A	1153	1043	8.63
23	A	1115	1008	1.13
24	A	1082	979	3.63
25	A	1063	961	2.41
26	A	998	902	12.54
27	A	990	896	0.77
28	A	956	865	5.50
29	A	875	791	8.07
30	A	833	753	3.10
31	A	823	744	13.77
32	A	808	731	48.78
33	A	733	664	1.28
34	A	526	476	5.53
35	A	380	343	0.84
36	A	307	278	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.648	-0.761	-0.385
C2	-0.781	-1.155	-0.029
C3	0.707	0.741	-0.439
C4	1.453	-0.011	0.627
C5	-1.461	0.176	0.199
C6	-0.661	1.194	-0.051
H7	1.180	-1.356	-1.101
H8	-1.251	-1.700	-0.843
H9	-0.830	-1.794	0.847
H10	1.258	1.271	-1.192
H11	1.095	0.059	1.637
H12	2.522	-0.072	0.533
H13	-2.473	0.259	0.545
H14	-0.931	2.229	0.041

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5238	1.5041	1.4953	2.3801	2.3765	1.0725	2.1667	2.1836	2.2701	2.2272	2.1977	3.4126	3.4079
C2	1.5238		2.4444	2.5945	1.5126	2.3527	2.2433	1.0858	1.0855	3.3756	2.7871	3.5208	2.2794	3.3884
C3	1.5041	2.4444		1.5028	2.3287	1.4923	2.2495	3.1546	3.2310	1.0731	2.2191	2.2134	3.3633	2.2641
C4	1.4953	2.5945	1.5028		2.9511	2.5263	2.2070	3.5106	2.9054	2.2335	1.0742	1.0741	3.9368	3.3233
C5	2.3801	1.5126	2.3287	2.9511		1.3182	3.3183	2.1563	2.1676	3.2439	2.9344	4.0039	1.0733	2.1258
C6	2.3765	2.3527	1.4923	2.5263	1.3182		3.3162	3.0579	3.1245	2.2337	2.6870	3.4747	2.1243	1.0733
H7	1.0725	2.2433	2.2495	2.2070	3.3183	3.3162		2.4682	2.8332	2.6303	3.0834	2.4741	4.3202	4.3143
H8	2.1667	1.0858	3.1546	3.5106	2.1563	3.0579	2.4682		1.7440	3.9042	3.8396	4.3329	2.6942	4.0397
H9	2.1836	1.0855	3.2310	2.9054	2.1676	3.1245	2.8332	1.7440		4.2320	2.7858	3.7813	2.6469	4.1039
H10	2.2701	3.3756	1.0731	2.2335	3.2439	2.2337	2.6303	3.9042	4.2320		3.0817	2.5250	4.2380	2.6882
H11	2.2272	2.7871	2.2191	1.0742	2.9344	2.6870	3.0834	3.8396	2.7858	3.0817		1.8088	3.7367	3.3703
H12	2.1977	3.5208	2.2134	1.0741	4.0039	3.4747	2.4741	4.3329	3.7813	2.5250	1.8088		5.0059	4.1780
H13	3.4126	2.2794	3.3633	3.9368	1.0733	2.1243	4.3202	2.6942	2.6469	4.2380	3.7367	5.0059		2.5520
H14	3.4079	3.3884	2.2641	3.3233	2.1258	1.0733	4.3143	4.0397	4.1039	2.6882	3.3703	4.1780	2.5520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	103.230	C1	C2	H8	111.146
C1	C2	H9	112.536	C1	C3	C4	59.643
C1	C3	C6	104.956	C1	C3	H10	122.609
C1	C4	C3	60.223	C1	C4	H11	119.270
C1	C4	H12	116.641	C2	C1	C3	107.667
C2	C1	C4	118.489	C2	C1	H7	118.512
C2	C5	C6	112.243	C2	C5	H13	122.740
C3	C1	C4	60.134	C3	C1	H7	120.712
C3	C4	H11	117.935	C3	C4	H12	117.434
C3	C6	C5	111.753	C3	C6	H14	123.055
C4	C1	H7	117.577	C4	C3	C6	115.021
C4	C3	H10	119.302	C5	C2	H8	111.108
C5	C2	H9	112.041	C5	C6	H14	125.159
C6	C3	H10	120.196	C6	C5	H13	125.006
H8	C2	H9	106.869	H11	C4	H12	114.699

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

using model chemistry: HF/daug-cc-pVTZ

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	-0.431
2	C	-0.603
3	C	-0.781
4	C	-1.690
5	C	-0.421
6	C	-0.583
7	H	0.737
8	H	0.160
9	H	0.327
10	H	0.579
11	H	0.924
12	H	0.510
13	H	0.617
14	H	0.655

	x	y	z	Total
	0.165	-0.197	-0.112	0.280
CHELPG
AIM
ESP

	x	y	z
x	10.122	0.548	-0.048
y	0.548	9.739	-0.117
z	-0.048	-0.117	7.910

<r²>	130.068
(<r²>)^1/2	11.405

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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