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	hartrees
Energy at 0K	-153.222344
Energy at 298.15K	-153.228699
HF Energy	-152.997142
Nuclear repulsion energy	114.532189

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3583	3185	0.47
2	A₁	3574	3177	9.24
3	A₁	3416	3037	1.58
4	A₁	1708	1518	0.45
5	A₁	1419	1262	0.21
6	A₁	1200	1067	0.33
7	A₁	991	881	5.66
8	A₁	825	733	4.48
9	A₁	483	429	0.86
10	A₂	1311	1166	0.00
11	A₂	1233	1096	0.00
12	A₂	1029	915	0.00
13	A₂	976	868	0.00
14	B₁	3557	3162	12.24
15	B₁	1345	1195	9.74
16	B₁	1254	1115	0.37
17	B₁	1113	989	0.00
18	B₁	890	791	17.21
19	B₂	3575	3178	0.21
20	B₂	3421	3041	0.42
21	B₂	1672	1487	4.83
22	B₂	1476	1312	1.57
23	B₂	1171	1041	0.56
24	B₂	1020	907	2.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.757	0.000	-0.351
C2	-0.757	0.000	-0.351
C3	0.000	1.136	0.332
C4	0.000	-1.136	0.332
H5	1.515	0.000	-1.139
H6	-1.515	0.000	-1.139
H7	0.000	2.109	-0.184
H8	0.000	-2.109	-0.184
H9	0.000	1.211	1.434
H10	0.000	-1.211	1.434

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5142	1.5265	1.5265	1.0943	2.4055	2.2467	2.2467	2.2853	2.2853
C2	1.5142		1.5265	1.5265	2.4055	1.0943	2.2467	2.2467	2.2853	2.2853
C3	1.5265	1.5265		2.2725	2.3986	2.3986	1.1008	3.2857	1.1042	2.5925
C4	1.5265	1.5265	2.2725		2.3986	2.3986	3.2857	1.1008	2.5925	1.1042
H5	1.0943	2.4055	2.3986	2.3986		3.0308	2.7671	2.7671	3.2223	3.2223
H6	2.4055	1.0943	2.3986	2.3986	3.0308		2.7671	2.7671	3.2223	3.2223
H7	2.2467	2.2467	1.1008	3.2857	2.7671	2.7671		4.2175	1.8500	3.6924
H8	2.2467	2.2467	3.2857	1.1008	2.7671	2.7671	4.2175		3.6924	1.8500
H9	2.2853	2.2853	1.1042	2.5925	3.2223	3.2223	1.8500	3.6924		2.4211
H10	2.2853	2.2853	2.5925	1.1042	3.2223	3.2223	3.6924	1.8500	2.4211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.267	C1	C2	C4	60.267
C1	C2	H6	133.867	C1	C3	C2	59.466
C1	C3	H7	116.621	C1	C3	H9	119.755
C1	C4	C2	59.466	C1	C4	H8	116.621
C1	C4	H10	119.755	C2	C1	C3	60.267
C2	C1	C4	60.267	C2	C1	H5	133.867
C2	C3	H7	116.621	C2	C3	H9	119.755
C2	C4	H8	116.621	C2	C4	H10	119.755
C3	C1	C4	96.203	C3	C1	H5	131.767
C3	C2	C4	96.203	C3	C2	H6	131.767
C4	C1	H5	131.767	C4	C2	H6	131.767
H7	C3	H9	114.076	H8	C4	H10	114.076

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

using model chemistry: MP2=FULL/STO-3G

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: MP2=FULL/STO-3G

States and conformations

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