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	hartrees
Energy at 0K	-155.663466
Energy at 298.15K	-155.669743
HF Energy	-154.925208
Nuclear repulsion energy	116.202643

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3263	3155
2	A₁	3178	3073
3	A₁	3069	2967
4	A₁	1528	1478
5	A₁	1284	1242
6	A₁	1103	1066
7	A₁	863	834
8	A₁	655	634
9	A₁	410	397
10	A₂	1179	1140
11	A₂	1084	1048
12	A₂	920	890
13	A₂	861	832
14	B₁	3250	3142
15	B₁	1166	1128
16	B₁	1138	1100
17	B₁	994	961
18	B₁	747	723
19	B₂	3180	3074
20	B₂	3076	2973
21	B₂	1493	1443
22	B₂	1312	1268
23	B₂	1100	1063
24	B₂	941	910

Atom	x (Å)	y (Å)	z (Å)
C1	0.751	0.000	-0.319
C2	-0.751	0.000	-0.319
C3	0.000	1.135	0.315
C4	0.000	-1.135	0.315
H5	1.419	0.000	-1.163
H6	-1.419	0.000	-1.163
H7	0.000	2.082	-0.215
H8	0.000	-2.082	-0.215
H9	0.000	1.216	1.402
H10	0.000	-1.216	1.402

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5018	1.5016	1.5016	1.0767	2.3286	2.2159	2.2159	2.2374	2.2374
C2	1.5018		1.5016	1.5016	2.3286	1.0767	2.2159	2.2159	2.2374	2.2374
C3	1.5016	1.5016		2.2703	2.3429	2.3429	1.0853	3.2607	1.0898	2.5905
C4	1.5016	1.5016	2.2703		2.3429	2.3429	3.2607	1.0853	2.5905	1.0898
H5	1.0767	2.3286	2.3429	2.3429		2.8385	2.6924	2.6924	3.1741	3.1741
H6	2.3286	1.0767	2.3429	2.3429	2.8385		2.6924	2.6924	3.1741	3.1741
H7	2.2159	2.2159	1.0853	3.2607	2.6924	2.6924		4.1643	1.8341	3.6736
H8	2.2159	2.2159	3.2607	1.0853	2.6924	2.6924	4.1643		3.6736	1.8341
H9	2.2374	2.2374	1.0898	2.5905	3.1741	3.1741	1.8341	3.6736		2.4328
H10	2.2374	2.2374	2.5905	1.0898	3.1741	3.1741	3.6736	1.8341	2.4328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.996	C1	C2	C4	59.996
C1	C2	H6	128.371	C1	C3	C2	60.008
C1	C3	H7	116.950	C1	C3	H9	118.535
C1	C4	C2	60.008	C1	C4	H8	116.950
C1	C4	H10	118.535	C2	C1	C3	59.996
C2	C1	C4	59.996	C2	C1	H5	128.371
C2	C3	H7	116.950	C2	C3	H9	118.535
C2	C4	H8	116.950	C2	C4	H10	118.535
C3	C1	C4	98.214	C3	C1	H5	129.915
C3	C2	C4	98.214	C3	C2	H6	129.915
C4	C1	H5	129.915	C4	C2	H6	129.915
H7	C3	H9	114.965	H8	C4	H10	114.965

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

using model chemistry: QCISD(T)/aug-cc-pVTZ

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(T)/aug-cc-pVTZ

States and conformations

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