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	hartrees
Energy at 0K	-154.825414
Energy at 298.15K	-154.831770
HF Energy	-154.702827
Nuclear repulsion energy	115.093402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3337	3177	0.78
2	A₁	3234	3079	22.05
3	A₁	3136	2985	31.71
4	A₁	1578	1502	0.74
5	A₁	1256	1196	1.21
6	A₁	1109	1056	0.17
7	A₁	835	795	0.00
8	A₁	798	760	16.14
9	A₁	443	422	2.48
10	A₂	1220	1161	0.00
11	A₂	1134	1079	0.00
12	A₂	968	921	0.00
13	A₂	802	763	0.00
14	B₁	3320	3161	0.94
15	B₁	1190	1133	38.41
16	B₁	1178	1122	3.64
17	B₁	1037	987	1.23
18	B₁	734	699	56.37
19	B₂	3236	3080	7.02
20	B₂	3139	2988	27.30
21	B₂	1551	1476	0.01
22	B₂	1302	1240	0.06
23	B₂	1080	1028	1.01
24	B₂	968	921	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.758	0.000	-0.337
C2	-0.758	0.000	-0.337
C3	0.000	1.145	0.324
C4	0.000	-1.145	0.324
H5	1.487	0.000	-1.123
H6	-1.487	0.000	-1.123
H7	0.000	2.091	-0.205
H8	0.000	-2.091	-0.205
H9	0.000	1.219	1.408
H10	0.000	-1.219	1.408

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5152	1.5236	1.5236	1.0719	2.3780	2.2279	2.2279	2.2597	2.2597
C2	1.5152		1.5236	1.5236	2.3780	1.0719	2.2279	2.2279	2.2597	2.2597
C3	1.5236	1.5236		2.2890	2.3695	2.3695	1.0844	3.2785	1.0867	2.6001
C4	1.5236	1.5236	2.2890		2.3695	2.3695	3.2785	1.0844	2.6001	1.0867
H5	1.0719	2.3780	2.3695	2.3695		2.9739	2.7249	2.7249	3.1785	3.1785
H6	2.3780	1.0719	2.3695	2.3695	2.9739		2.7249	2.7249	3.1785	3.1785
H7	2.2279	2.2279	1.0844	3.2785	2.7249	2.7249		4.1820	1.8342	3.6821
H8	2.2279	2.2279	3.2785	1.0844	2.7249	2.7249	4.1820		3.6821	1.8342
H9	2.2597	2.2597	1.0867	2.6001	3.1785	3.1785	1.8342	3.6821		2.4375
H10	2.2597	2.2597	2.6001	1.0867	3.1785	3.1785	3.6821	1.8342	2.4375

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.182	C1	C2	C4	60.182
C1	C2	H6	132.878	C1	C3	C2	59.636
C1	C3	H7	116.343	C1	C3	H9	118.974
C1	C4	C2	59.636	C1	C4	H8	116.343
C1	C4	H10	118.974	C2	C1	C3	60.182
C2	C1	C4	60.182	C2	C1	H5	132.878
C2	C3	H7	116.343	C2	C3	H9	118.974
C2	C4	H8	116.343	C2	C4	H10	118.974
C3	C1	C4	97.390	C3	C1	H5	131.030
C3	C2	C4	97.390	C3	C2	H6	131.030
C4	C1	H5	131.030	C4	C2	H6	131.030
H7	C3	H9	115.299	H8	C4	H10	115.299

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

using model chemistry: B2PLYP=FULL/3-21G

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: B2PLYP=FULL/3-21G

States and conformations

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