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	hartrees
Energy at 0K	-232.784748
Energy at 298.15K	-232.793036
HF Energy	-231.793607
Nuclear repulsion energy	220.223602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3091	2935	0.00
2	A_g	1699	1614	0.00
3	A_g	1488	1413	0.00
4	A_g	1199	1138	0.00
5	A_g	889	844	0.00
6	A_g	681	647	0.00
7	A_u	3143	2985	0.00
8	A_u	1150	1092	0.00
9	A_u	994	944	0.00
10	A_u	205	195	0.00
11	B_1g	3085	2929	0.00
12	B_1g	1469	1395	0.00
13	B_1g	1277	1213	0.00
14	B_1g	1152	1094	0.00
15	B_1g	800	760	0.00
16	B_1u	3156	2996	73.14
17	B_1u	1088	1033	2.35
18	B_1u	819	777	0.03
19	B_1u	78	74	13.22
20	B_2g	3157	2997	0.00
21	B_2g	1056	1002	0.00
22	B_2g	745	708	0.00
23	B_2u	3087	2931	72.77
24	B_2u	1472	1398	0.74
25	B_2u	1219	1158	12.43
26	B_2u	907	861	0.11
27	B_2u	400	380	7.76
28	B_3g	3145	2986	0.00
29	B_3g	1173	1114	0.00
30	B_3g	1033	981	0.00
31	B_3g	364	346	0.00
32	B_3u	3088	2932	134.38
33	B_3u	1490	1415	1.57
34	B_3u	1280	1215	0.64
35	B_3u	1190	1130	0.40
36	B_3u	830	788	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.663	0.000
C2	0.000	-0.663	0.000
C3	1.522	-0.799	0.000
C4	1.522	0.799	0.000
C5	-1.522	0.799	0.000
C6	-1.522	-0.799	0.000
H7	-1.969	-1.245	0.889
H8	-1.969	-1.245	-0.889
H9	-1.969	1.245	0.889
H10	-1.969	1.245	-0.889
H11	1.969	-1.245	0.889
H12	1.969	-1.245	-0.889
H13	1.969	1.245	0.889
H14	1.969	1.245	-0.889

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3259	2.1102	1.5279	1.5279	2.1102	2.8816	2.8816	2.2368	2.2368	2.8816	2.8816	2.2368	2.2368
C2	1.3259		1.5279	2.1102	2.1102	1.5279	2.2368	2.2368	2.8816	2.8816	2.2368	2.2368	2.8816	2.8816
C3	2.1102	1.5279		1.5978	3.4376	3.0437	3.6292	3.6292	4.1411	4.1411	1.0899	1.0899	2.2728	2.2728
C4	1.5279	2.1102	1.5978		3.0437	3.4376	4.1411	4.1411	3.6292	3.6292	2.2728	2.2728	1.0899	1.0899
C5	1.5279	2.1102	3.4376	3.0437		1.5978	2.2728	2.2728	1.0899	1.0899	4.1411	4.1411	3.6292	3.6292
C6	2.1102	1.5279	3.0437	3.4376	1.5978		1.0899	1.0899	2.2728	2.2728	3.6292	3.6292	4.1411	4.1411
H7	2.8816	2.2368	3.6292	4.1411	2.2728	1.0899		1.7771	2.4894	3.0587	3.9370	4.3195	4.6581	4.9856
H8	2.8816	2.2368	3.6292	4.1411	2.2728	1.0899	1.7771		3.0587	2.4894	4.3195	3.9370	4.9856	4.6581
H9	2.2368	2.8816	4.1411	3.6292	1.0899	2.2728	2.4894	3.0587		1.7771	4.6581	4.9856	3.9370	4.3195
H10	2.2368	2.8816	4.1411	3.6292	1.0899	2.2728	3.0587	2.4894	1.7771		4.9856	4.6581	4.3195	3.9370
H11	2.8816	2.2368	1.0899	2.2728	4.1411	3.6292	3.9370	4.3195	4.6581	4.9856		1.7771	2.4894	3.0587
H12	2.8816	2.2368	1.0899	2.2728	4.1411	3.6292	4.3195	3.9370	4.9856	4.6581	1.7771		3.0587	2.4894
H13	2.2368	2.8816	2.2728	1.0899	3.6292	4.1411	4.6581	4.9856	3.9370	4.3195	2.4894	3.0587		1.7771
H14	2.2368	2.8816	2.2728	1.0899	3.6292	4.1411	4.9856	4.6581	4.3195	3.9370	3.0587	2.4894	1.7771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	95.106	C1	C2	C6	95.106
C1	C4	C3	84.894	C1	C4	H13	116.398
C1	C4	H14	116.398	C1	C5	C6	84.894
C1	C5	H9	116.398	C1	C5	H10	116.398
C2	C1	C4	95.106	C2	C1	C5	95.106
C2	C3	C4	84.894	C2	C3	H11	116.398
C2	C3	H12	116.398	C2	C6	C5	84.894
C2	C6	H7	116.398	C2	C6	H8	116.398
C3	C2	C6	169.789	C3	C4	H13	114.146
C3	C4	H14	114.146	C4	C1	C5	169.789
C4	C3	H11	114.146	C4	C3	H12	114.146
C5	C6	H7	114.146	C5	C6	H8	114.146
C6	C5	H9	114.146	C6	C5	H10	114.146
H7	C6	H8	109.234	H9	C5	H10	109.234
H11	C3	H12	109.234	H13	C4	H14	109.234

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

using model chemistry: MP2/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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All results from a given calculation for C6H8 (Bicyclo[2.2.0]hex-1(4)-ene)

using model chemistry: MP2/cc-pVTZ

States and conformations

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