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	hartrees
Energy at 0K	-155.519230
Energy at 298.15K	-155.525531
HF Energy	-154.896398
Nuclear repulsion energy	116.281958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3296	3122	1.26
2	A₁	3223	3052	24.93
3	A₁	3113	2948	43.78
4	A₁	1561	1478	0.56
5	A₁	1312	1242	2.59
6	A₁	1124	1065	0.15
7	A₁	878	832	0.02
8	A₁	639	605	5.12
9	A₁	414	392	2.16
10	A₂	1204	1140	0.00
11	A₂	1099	1041	0.00
12	A₂	944	894	0.00
13	A₂	885	838	0.00
14	B₁	3283	3110	1.91
15	B₁	1188	1125	13.97
16	B₁	1155	1094	20.28
17	B₁	1006	953	3.29
18	B₁	762	722	86.50
19	B₂	3225	3055	8.09
20	B₂	3120	2955	38.23
21	B₂	1524	1443	0.05
22	B₂	1345	1274	0.10
23	B₂	1136	1076	0.45
24	B₂	966	915	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.755	0.000	-0.310
C2	-0.755	0.000	-0.310
C3	0.000	1.135	0.311
C4	0.000	-1.135	0.311
H5	1.398	0.000	-1.176
H6	-1.398	0.000	-1.176
H7	0.000	2.079	-0.228
H8	0.000	-2.079	-0.228
H9	0.000	1.234	1.397
H10	0.000	-1.234	1.397

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5091	1.4973	1.4973	1.0792	2.3205	2.2135	2.2135	2.2371	2.2371
C2	1.5091		1.4973	1.4973	2.3205	1.0792	2.2135	2.2135	2.2371	2.2371
C3	1.4973	1.4973		2.2696	2.3350	2.3350	1.0874	3.2590	1.0910	2.6058
C4	1.4973	1.4973	2.2696		2.3350	2.3350	3.2590	1.0874	2.6058	1.0910
H5	1.0792	2.3205	2.3350	2.3350		2.7965	2.6790	2.6790	3.1776	3.1776
H6	2.3205	1.0792	2.3350	2.3350	2.7965		2.6790	2.6790	3.1776	3.1776
H7	2.2135	2.2135	1.0874	3.2590	2.6790	2.6790		4.1587	1.8321	3.6902
H8	2.2135	2.2135	3.2590	1.0874	2.6790	2.6790	4.1587		3.6902	1.8321
H9	2.2371	2.2371	1.0910	2.6058	3.1776	3.1776	1.8321	3.6902		2.4673
H10	2.2371	2.2371	2.6058	1.0910	3.1776	3.1776	3.6902	1.8321	2.4673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.740	C1	C2	C4	59.740
C1	C2	H6	126.621	C1	C3	C2	60.520
C1	C3	H7	116.941	C1	C3	H9	118.767
C1	C4	C2	60.520	C1	C4	H8	116.941
C1	C4	H10	118.767	C2	C1	C3	59.740
C2	C1	C4	59.740	C2	C1	H5	126.621
C2	C3	H7	116.941	C2	C3	H9	118.767
C2	C4	H8	116.941	C2	C4	H10	118.767
C3	C1	C4	98.560	C3	C1	H5	129.280
C3	C2	C4	98.560	C3	C2	H6	129.280
C4	C1	H5	129.280	C4	C2	H6	129.280
H7	C3	H9	114.502	H8	C4	H10	114.502

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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