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	hartrees
Energy at 0K	-154.333243
Energy at 298.15K	-154.339697
HF Energy	-153.985713
Nuclear repulsion energy	115.160972

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3382	3147	0.49
2	A₁	3271	3044	23.15
3	A₁	3180	2959	26.58
4	A₁	1610	1498	0.70
5	A₁	1284	1195	1.01
6	A₁	1136	1057	0.03
7	A₁	872	811	10.64
8	A₁	855	796	6.43
9	A₁	467	435	1.96
10	A₂	1259	1172	0.00
11	A₂	1171	1089	0.00
12	A₂	994	925	0.00
13	A₂	827	769	0.00
14	B₁	3364	3130	0.65
15	B₁	1234	1148	38.99
16	B₁	1206	1122	0.49
17	B₁	1081	1006	1.78
18	B₁	760	708	57.66
19	B₂	3272	3044	6.69
20	B₂	3182	2961	25.10
21	B₂	1582	1472	0.03
22	B₂	1339	1246	0.15
23	B₂	1092	1016	1.21
24	B₂	988	919	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.754	0.000	-0.343
C2	-0.754	0.000	-0.343
C3	0.000	1.143	0.327
C4	0.000	-1.143	0.327
H5	1.495	0.000	-1.116
H6	-1.495	0.000	-1.116
H7	0.000	2.092	-0.197
H8	0.000	-2.092	-0.197
H9	0.000	1.214	1.410
H10	0.000	-1.214	1.410

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5076	1.5243	1.5243	1.0705	2.3777	2.2281	2.2281	2.2619	2.2619
C2	1.5076		1.5243	1.5243	2.3777	1.0705	2.2281	2.2281	2.2619	2.2619
C3	1.5243	1.5243		2.2857	2.3712	2.3712	1.0837	3.2766	1.0852	2.5940
C4	1.5243	1.5243	2.2857		2.3712	2.3712	3.2766	1.0837	2.5940	1.0852
H5	1.0705	2.3777	2.3712	2.3712		2.9898	2.7303	2.7303	3.1762	3.1762
H6	2.3777	1.0705	2.3712	2.3712	2.9898		2.7303	2.7303	3.1762	3.1762
H7	2.2281	2.2281	1.0837	3.2766	2.7303	2.7303		4.1833	1.8304	3.6756
H8	2.2281	2.2281	3.2766	1.0837	2.7303	2.7303	4.1833		3.6756	1.8304
H9	2.2619	2.2619	1.0852	2.5940	3.1762	3.1762	1.8304	3.6756		2.4287
H10	2.2619	2.2619	2.5940	1.0852	3.1762	3.1762	3.6756	1.8304	2.4287

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.363	C1	C2	C4	60.363
C1	C2	H6	133.813	C1	C3	C2	59.274
C1	C3	H7	116.354	C1	C3	H9	119.221
C1	C4	C2	59.274	C1	C4	H8	116.354
C1	C4	H10	119.221	C2	C1	C3	60.363
C2	C1	C4	60.363	C2	C1	H5	133.813
C2	C3	H7	116.354	C2	C3	H9	119.221
C2	C4	H8	116.354	C2	C4	H10	119.221
C3	C1	C4	97.134	C3	C1	H5	131.275
C3	C2	C4	97.134	C3	C2	H6	131.275
C4	C1	H5	131.275	C4	C2	H6	131.275
H7	C3	H9	115.116	H8	C4	H10	115.116

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

using model chemistry: CID/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: CID/3-21G*

States and conformations

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