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	hartrees
Energy at 0K	-25.624737
Energy at 298.15K	-25.630914
HF Energy	-25.264802
Nuclear repulsion energy	60.934638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3222	3145	6.55
2	A₁	3152	3076	45.93
3	A₁	3038	2965	50.17
4	A₁	1539	1502	0.65
5	A₁	1246	1216	2.87
6	A₁	1090	1064	0.28
7	A₁	797	778	2.06
8	A₁	590	576	3.43
9	A₁	366	357	3.38
10	A₂	1193	1165	0.00
11	A₂	1151	1123	0.00
12	A₂	928	906	0.00
13	A₂	835	815	0.00
14	B₁	3206	3129	2.44
15	B₁	1209	1180	23.42
16	B₁	1150	1123	2.78
17	B₁	1006	981	2.46
18	B₁	708	691	89.70
19	B₂	3154	3078	13.40
20	B₂	3044	2970	50.32
21	B₂	1520	1484	0.00
22	B₂	1294	1263	1.20
23	B₂	1100	1073	0.94
24	B₂	957	934	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.792	0.000	-0.318
C2	-0.792	0.000	-0.318
C3	0.000	1.165	0.317
C4	0.000	-1.165	0.317
H5	1.454	0.000	-1.179
H6	-1.454	0.000	-1.179
H7	0.000	2.118	-0.224
H8	0.000	-2.118	-0.224
H9	0.000	1.261	1.410
H10	0.000	-1.261	1.410

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5844	1.5452	1.5452	1.0864	2.4058	2.2628	2.2628	2.2813	2.2813
C2	1.5844		1.5452	1.5452	2.4058	1.0864	2.2628	2.2628	2.2813	2.2813
C3	1.5452	1.5452		2.3301	2.3895	2.3895	1.0950	3.3267	1.0979	2.6610
C4	1.5452	1.5452	2.3301		2.3895	2.3895	3.3267	1.0950	2.6610	1.0979
H5	1.0864	2.4058	2.3895	2.3895		2.9081	2.7408	2.7408	3.2266	3.2266
H6	2.4058	1.0864	2.3895	2.3895	2.9081		2.7408	2.7408	3.2266	3.2266
H7	2.2628	2.2628	1.0950	3.3267	2.7408	2.7408		4.2350	1.8450	3.7527
H8	2.2628	2.2628	3.3267	1.0950	2.7408	2.7408	4.2350		3.7527	1.8450
H9	2.2813	2.2813	1.0979	2.6610	3.2266	3.2266	1.8450	3.7527		2.5215
H10	2.2813	2.2813	2.6610	1.0979	3.2266	3.2266	3.7527	1.8450	2.5215

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.156	C1	C2	C4	59.156
C1	C2	H6	127.532	C1	C3	C2	61.688
C1	C3	H7	116.952	C1	C3	H9	118.348
C1	C4	C2	61.688	C1	C4	H8	116.952
C1	C4	H10	118.348	C2	C1	C3	59.156
C2	C1	C4	59.156	C2	C1	H5	127.532
C2	C3	H7	116.952	C2	C3	H9	118.348
C2	C4	H8	116.952	C2	C4	H10	118.348
C3	C1	C4	97.873	C3	C1	H5	129.643
C3	C2	C4	97.873	C3	C2	H6	129.643
C4	C1	H5	129.643	C4	C2	H6	129.643
H7	C3	H9	114.560	H8	C4	H10	114.560

All results from a given calculation for C₄H₆ (Bicyclo[1.1.0]butane)

using model chemistry: MP2/CEP-121G

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 C4H6 (Bicyclo[1.1.0]butane)

using model chemistry: MP2/CEP-121G

States and conformations

All results from a given calculation for C₄H₆ (Bicyclo[1.1.0]butane)