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	hartrees
Energy at 0K	-155.477421
Energy at 298.15K	-155.483760
HF Energy	-154.882199
Nuclear repulsion energy	115.602513

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3320	3121	0.79
2	A₁	3238	3045	23.70
3	A₁	3128	2942	43.13
4	A₁	1546	1453	0.02
5	A₁	1315	1237	1.91
6	A₁	1120	1053	0.04
7	A₁	886	833	0.26
8	A₁	682	642	5.61
9	A₁	421	395	1.11
10	A₂	1200	1128	0.00
11	A₂	1100	1034	0.00
12	A₂	939	883	0.00
13	A₂	884	831	0.00
14	B₁	3306	3109	1.92
15	B₁	1195	1124	13.86
16	B₁	1150	1082	6.10
17	B₁	1011	951	4.43
18	B₁	770	724	70.45
19	B₂	3239	3046	9.46
20	B₂	3133	2946	35.62
21	B₂	1505	1415	0.14
22	B₂	1351	1270	0.09
23	B₂	1116	1050	0.50
24	B₂	951	895	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.753	0.000	-0.319
C2	-0.753	0.000	-0.319
C3	0.000	1.140	0.316
C4	0.000	-1.140	0.316
H5	1.433	0.000	-1.167
H6	-1.433	0.000	-1.167
H7	0.000	2.093	-0.225
H8	0.000	-2.093	-0.225
H9	0.000	1.236	1.411
H10	0.000	-1.236	1.411

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5068	1.5069	1.5069	1.0867	2.3452	2.2263	2.2263	2.2558	2.2558
C2	1.5068		1.5069	1.5069	2.3452	1.0867	2.2263	2.2263	2.2558	2.2558
C3	1.5069	1.5069		2.2805	2.3564	2.3564	1.0955	3.2781	1.0995	2.6165
C4	1.5069	1.5069	2.2805		2.3564	2.3564	3.2781	1.0955	2.6165	1.0995
H5	1.0867	2.3452	2.3564	2.3564		2.8664	2.7058	2.7058	3.1981	3.1981
H6	2.3452	1.0867	2.3564	2.3564	2.8664		2.7058	2.7058	3.1981	3.1981
H7	2.2263	2.2263	1.0955	3.2781	2.7058	2.7058		4.1857	1.8471	3.7092
H8	2.2263	2.2263	3.2781	1.0955	2.7058	2.7058	4.1857		3.7092	1.8471
H9	2.2558	2.2558	1.0995	2.6165	3.1981	3.1981	1.8471	3.7092		2.4718
H10	2.2558	2.2558	2.6165	1.0995	3.1981	3.1981	3.7092	1.8471	2.4718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.003	C1	C2	C4	60.003
C1	C2	H6	128.724	C1	C3	C2	59.995
C1	C3	H7	116.742	C1	C3	H9	119.046
C1	C4	C2	59.995	C1	C4	H8	116.742
C1	C4	H10	119.046	C2	C1	C3	60.003
C2	C1	C4	60.003	C2	C1	H5	128.724
C2	C3	H7	116.742	C2	C3	H9	119.046
C2	C4	H8	116.742	C2	C4	H10	119.046
C3	C1	C4	98.343	C3	C1	H5	129.900
C3	C2	C4	98.343	C3	C2	H6	129.900
C4	C1	H5	129.900	C4	C2	H6	129.900
H7	C3	H9	114.598	H8	C4	H10	114.598

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

using model chemistry: MP3=FULL/cc-pVDZ

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: MP3=FULL/cc-pVDZ

States and conformations

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