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	hartrees
Energy at 0K	-231.785615
Energy at 298.15K	-231.794392
HF Energy	-231.785615
Nuclear repulsion energy	221.138164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3195	2903	0.00
2	A_g	1923	1747	0.00
3	A_g	1617	1469	0.00
4	A_g	1331	1210	0.00
5	A_g	930	845	0.00
6	A_g	710	645	0.00
7	A_u	3222	2928	0.00
8	A_u	1254	1139	0.00
9	A_u	1089	990	0.00
10	A_u	236	214	0.00
11	B_1g	3182	2891	0.00
12	B_1g	1594	1449	0.00
13	B_1g	1406	1278	0.00
14	B_1g	1244	1130	0.00
15	B_1g	866	787	0.00
16	B_1u	3239	2943	153.56
17	B_1u	1190	1081	6.88
18	B_1u	885	804	0.10
19	B_1u	133	121	19.06
20	B_2g	3240	2944	0.00
21	B_2g	1138	1034	0.00
22	B_2g	817	742	0.00
23	B_2u	3184	2893	134.26
24	B_2u	1597	1451	0.10
25	B_2u	1343	1220	17.56
26	B_2u	1003	912	1.18
27	B_2u	426	387	7.54
28	B_3g	3224	2929	0.00
29	B_3g	1274	1158	0.00
30	B_3g	1164	1058	0.00
31	B_3g	445	404	0.00
32	B_3u	3189	2898	196.75
33	B_3u	1616	1468	5.39
34	B_3u	1343	1221	5.58
35	B_3u	1316	1196	2.80
36	B_3u	871	791	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.647	0.000
C2	0.000	-0.647	0.000
C3	1.519	-0.798	0.000
C4	1.519	0.798	0.000
C5	-1.519	0.798	0.000
C6	-1.519	-0.798	0.000
H7	-1.962	-1.246	0.882
H8	-1.962	-1.246	-0.882
H9	-1.962	1.246	0.882
H10	-1.962	1.246	-0.882
H11	1.962	-1.246	0.882
H12	1.962	-1.246	-0.882
H13	1.962	1.246	0.882
H14	1.962	1.246	-0.882

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2942	2.0968	1.5268	1.5268	2.0968	2.8658	2.8658	2.2331	2.2331	2.8658	2.8658	2.2331	2.2331
C2	1.2942		1.5268	2.0968	2.0968	1.5268	2.2331	2.2331	2.8658	2.8658	2.2331	2.2331	2.8658	2.8658
C3	2.0968	1.5268		1.5959	3.4323	3.0387	3.6192	3.6192	4.1325	4.1325	1.0840	1.0840	2.2701	2.2701
C4	1.5268	2.0968	1.5959		3.0387	3.4323	4.1325	4.1325	3.6192	3.6192	2.2701	2.2701	1.0840	1.0840
C5	1.5268	2.0968	3.4323	3.0387		1.5959	2.2701	2.2701	1.0840	1.0840	4.1325	4.1325	3.6192	3.6192
C6	2.0968	1.5268	3.0387	3.4323	1.5959		1.0840	1.0840	2.2701	2.2701	3.6192	3.6192	4.1325	4.1325
H7	2.8658	2.2331	3.6192	4.1325	2.2701	1.0840		1.7640	2.4929	3.0538	3.9240	4.3023	4.6489	4.9723
H8	2.8658	2.2331	3.6192	4.1325	2.2701	1.0840	1.7640		3.0538	2.4929	4.3023	3.9240	4.9723	4.6489
H9	2.2331	2.8658	4.1325	3.6192	1.0840	2.2701	2.4929	3.0538		1.7640	4.6489	4.9723	3.9240	4.3023
H10	2.2331	2.8658	4.1325	3.6192	1.0840	2.2701	3.0538	2.4929	1.7640		4.9723	4.6489	4.3023	3.9240
H11	2.8658	2.2331	1.0840	2.2701	4.1325	3.6192	3.9240	4.3023	4.6489	4.9723		1.7640	2.4929	3.0538
H12	2.8658	2.2331	1.0840	2.2701	4.1325	3.6192	4.3023	3.9240	4.9723	4.6489	1.7640		3.0538	2.4929
H13	2.2331	2.8658	2.2701	1.0840	3.6192	4.1325	4.6489	4.9723	3.9240	4.3023	2.4929	3.0538		1.7640
H14	2.2331	2.8658	2.2701	1.0840	3.6192	4.1325	4.9723	4.6489	4.3023	3.9240	3.0538	2.4929	1.7640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	95.670	C1	C2	C6	95.670
C1	C4	C3	84.330	C1	C4	H13	116.568
C1	C4	H14	116.568	C1	C5	C6	84.330
C1	C5	H9	116.568	C1	C5	H10	116.568
C2	C1	C4	95.670	C2	C1	C5	95.670
C2	C3	C4	84.330	C2	C3	H11	116.568
C2	C3	H12	116.568	C2	C6	C5	84.330
C2	C6	H7	116.568	C2	C6	H8	116.568
C3	C2	C6	168.660	C3	C4	H13	114.441
C3	C4	H14	114.441	C4	C1	C5	168.660
C4	C3	H11	114.441	C4	C3	H12	114.441
C5	C6	H7	114.441	C5	C6	H8	114.441
C6	C5	H9	114.441	C6	C5	H10	114.441
H7	C6	H8	108.909	H9	C5	H10	108.909
H11	C3	H12	108.909	H13	C4	H14	108.909

All results from a given calculation for C₆H₈ (Bicyclo[2.2.0]hex-1(4)-ene)

using model chemistry: HF/TZVP

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	-0.027
2	C	-0.027
3	C	-0.160
4	C	-0.160
5	C	-0.160
6	C	-0.160
7	H	0.087
8	H	0.087
9	H	0.087
10	H	0.087
11	H	0.087
12	H	0.087
13	H	0.087
14	H	0.087

<r²>	148.114
(<r²>)^1/2	12.170

All results from a given calculation for C6H8 (Bicyclo[2.2.0]hex-1(4)-ene)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for C₆H₈ (Bicyclo[2.2.0]hex-1(4)-ene)