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	hartrees
Energy at 0K	-155.351430
Energy at 298.15K	-155.357897
HF Energy	-154.871526
Nuclear repulsion energy	116.908401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3369	3119	1.82
2	A₁	3281	3038	25.87
3	A₁	3184	2948	47.69
4	A₁	1623	1502	0.04
5	A₁	1376	1274	1.30
6	A₁	1171	1084	0.00
7	A₁	932	863	0.50
8	A₁	746	691	9.01
9	A₁	453	419	1.30
10	A₂	1256	1163	0.00
11	A₂	1152	1067	0.00
12	A₂	982	909	0.00
13	A₂	914	846	0.00
14	B₁	3355	3106	4.31
15	B₁	1249	1156	16.98
16	B₁	1198	1109	4.99
17	B₁	1075	995	3.97
18	B₁	807	747	71.90
19	B₂	3282	3039	13.48
20	B₂	3186	2950	38.56
21	B₂	1582	1465	0.25
22	B₂	1405	1301	0.21
23	B₂	1163	1077	0.70
24	B₂	1002	928	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.739	0.000	-0.320
C2	-0.739	0.000	-0.320
C3	0.000	1.129	0.314
C4	0.000	-1.129	0.314
H5	1.431	0.000	-1.144
H6	-1.431	0.000	-1.144
H7	0.000	2.074	-0.217
H8	0.000	-2.074	-0.217
H9	0.000	1.230	1.397
H10	0.000	-1.230	1.397

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4787	1.4906	1.4906	1.0758	2.3217	2.2045	2.2045	2.2378	2.2378
C2	1.4787		1.4906	1.4906	2.3217	1.0758	2.2045	2.2045	2.2378	2.2378
C3	1.4906	1.4906		2.2572	2.3337	2.3337	1.0843	3.2465	1.0882	2.5955
C4	1.4906	1.4906	2.2572		2.3337	2.3337	3.2465	1.0843	2.5955	1.0882
H5	1.0758	2.3217	2.3337	2.3337		2.8627	2.6851	2.6851	3.1650	3.1650
H6	2.3217	1.0758	2.3337	2.3337	2.8627		2.6851	2.6851	3.1650	3.1650
H7	2.2045	2.2045	1.0843	3.2465	2.6851	2.6851		4.1484	1.8216	3.6773
H8	2.2045	2.2045	3.2465	1.0843	2.6851	2.6851	4.1484		3.6773	1.8216
H9	2.2378	2.2378	1.0882	2.5955	3.1650	3.1650	1.8216	3.6773		2.4599
H10	2.2378	2.2378	2.5955	1.0882	3.1650	3.1650	3.6773	1.8216	2.4599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.263	C1	C2	C4	60.263
C1	C2	H6	130.031	C1	C3	C2	59.474
C1	C3	H7	116.889	C1	C3	H9	119.586
C1	C4	C2	59.474	C1	C4	H8	116.889
C1	C4	H10	119.586	C2	C1	C3	60.263
C2	C1	C4	60.263	C2	C1	H5	130.031
C2	C3	H7	116.889	C2	C3	H9	119.586
C2	C4	H8	116.889	C2	C4	H10	119.586
C3	C1	C4	98.427	C3	C1	H5	130.130
C3	C2	C4	98.427	C3	C2	H6	130.130
C4	C1	H5	130.130	C4	C2	H6	130.130
H7	C3	H9	113.957	H8	C4	H10	113.957

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

using model chemistry: CISD/6-31G*

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: CISD/6-31G*

States and conformations

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