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	hartrees
Energy at 0K	-154.383245
Energy at 298.15K	-154.389581
HF Energy	-153.983719
Nuclear repulsion energy	114.270615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3297	3195	0.82
2	A₁	3187	3089	23.90
3	A₁	3097	3002	26.50
4	A₁	1570	1522	0.49
5	A₁	1236	1198	1.08
6	A₁	1090	1057	0.20
7	A₁	818	793	10.61
8	A₁	808	783	5.19
9	A₁	442	429	2.23
10	A₂	1222	1185	0.00
11	A₂	1139	1104	0.00
12	A₂	967	937	0.00
13	A₂	788	764	0.00
14	B₁	3281	3180	0.99
15	B₁	1196	1159	34.29
16	B₁	1167	1131	3.13
17	B₁	1037	1005	1.16
18	B₁	727	704	51.17
19	B₂	3187	3089	6.92
20	B₂	3099	3004	25.71
21	B₂	1545	1497	0.00
22	B₂	1297	1257	0.09
23	B₂	1056	1023	0.89
24	B₂	958	929	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.764	0.000	-0.342
C2	-0.764	0.000	-0.342
C3	0.000	1.151	0.328
C4	0.000	-1.151	0.328
H5	1.503	0.000	-1.125
H6	-1.503	0.000	-1.125
H7	0.000	2.103	-0.204
H8	0.000	-2.103	-0.204
H9	0.000	1.227	1.416
H10	0.000	-1.227	1.416

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5285	1.5357	1.5357	1.0768	2.3991	2.2421	2.2421	2.2768	2.2768
C2	1.5285		1.5357	1.5357	2.3991	1.0768	2.2421	2.2421	2.2768	2.2768
C3	1.5357	1.5357		2.3027	2.3868	2.3868	1.0901	3.2976	1.0915	2.6162
C4	1.5357	1.5357	2.3027		2.3868	2.3868	3.2976	1.0901	2.6162	1.0915
H5	1.0768	2.3991	2.3868	2.3868		3.0069	2.7447	2.7447	3.1980	3.1980
H6	2.3991	1.0768	2.3868	2.3868	3.0069		2.7447	2.7447	3.1980	3.1980
H7	2.2421	2.2421	1.0901	3.2976	2.7447	2.7447		4.2064	1.8416	3.7038
H8	2.2421	2.2421	3.2976	1.0901	2.7447	2.7447	4.2064		3.7038	1.8416
H9	2.2768	2.2768	1.0915	2.6162	3.1980	3.1980	1.8416	3.7038		2.4549
H10	2.2768	2.2768	2.6162	1.0915	3.1980	3.1980	3.7038	1.8416	2.4549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.154	C1	C2	C4	60.154
C1	C2	H6	133.350	C1	C3	C2	59.692
C1	C3	H7	116.239	C1	C3	H9	119.170
C1	C4	C2	59.692	C1	C4	H8	116.239
C1	C4	H10	119.170	C2	C1	C3	60.154
C2	C1	C4	60.154	C2	C1	H5	133.350
C2	C3	H7	116.239	C2	C3	H9	119.170
C2	C4	H8	116.239	C2	C4	H10	119.170
C3	C1	C4	97.132	C3	C1	H5	131.209
C3	C2	C4	97.132	C3	C2	H6	131.209
C4	C1	H5	131.209	C4	C2	H6	131.209
H7	C3	H9	115.165	H8	C4	H10	115.165

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

using model chemistry: QCISD/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: QCISD/3-21G

States and conformations

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