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	hartrees
Energy at 0K	-153.766664
Energy at 298.15K	-153.772990
HF Energy	-153.691224
Nuclear repulsion energy	114.781633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3563	3563	2.14
2	A₁	3551	3551	7.71
3	A₁	3396	3396	0.90
4	A₁	1694	1694	0.08
5	A₁	1417	1417	0.11
6	A₁	1191	1191	0.16
7	A₁	991	991	5.90
8	A₁	826	826	4.82
9	A₁	483	483	1.05
10	A₂	1288	1288	0.00
11	A₂	1214	1214	0.00
12	A₂	1016	1016	0.00
13	A₂	957	957	0.00
14	B₁	3535	3535	15.86
15	B₁	1324	1324	14.11
16	B₁	1238	1238	0.01
17	B₁	1097	1097	0.02
18	B₁	875	875	21.57
19	B₂	3552	3552	0.58
20	B₂	3400	3400	0.10
21	B₂	1654	1654	2.36
22	B₂	1457	1457	0.83
23	B₂	1159	1159	0.31
24	B₂	1011	1011	1.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.754	0.000	-0.350
C2	-0.754	0.000	-0.350
C3	0.000	1.136	0.331
C4	0.000	-1.136	0.331
H5	1.512	0.000	-1.134
H6	-1.512	0.000	-1.134
H7	0.000	2.105	-0.185
H8	0.000	-2.105	-0.185
H9	0.000	1.211	1.429
H10	0.000	-1.211	1.429

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5075	1.5239	1.5239	1.0914	2.3981	2.2416	2.2416	2.2805	2.2805
C2	1.5075		1.5239	1.5239	2.3981	1.0914	2.2416	2.2416	2.2805	2.2805
C3	1.5239	1.5239		2.2719	2.3929	2.3929	1.0975	3.2814	1.1006	2.5914
C4	1.5239	1.5239	2.2719		2.3929	2.3929	3.2814	1.0975	2.5914	1.1006
H5	1.0914	2.3981	2.3929	2.3929		3.0247	2.7602	2.7602	3.2136	3.2136
H6	2.3981	1.0914	2.3929	2.3929	3.0247		2.7602	2.7602	3.2136	3.2136
H7	2.2416	2.2416	1.0975	3.2814	2.7602	2.7602		4.2093	1.8448	3.6879
H8	2.2416	2.2416	3.2814	1.0975	2.7602	2.7602	4.2093		3.6879	1.8448
H9	2.2805	2.2805	1.1006	2.5914	3.2136	3.2136	1.8448	3.6879		2.4226
H10	2.2805	2.2805	2.5914	1.1006	3.2136	3.2136	3.6879	1.8448	2.4226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.357	C1	C2	C4	60.357
C1	C2	H6	134.035	C1	C3	C2	59.286
C1	C3	H7	116.601	C1	C3	H9	119.795
C1	C4	C2	59.286	C1	C4	H8	116.601
C1	C4	H10	119.795	C2	C1	C3	60.357
C2	C1	C4	60.357	C2	C1	H5	134.035
C2	C3	H7	116.601	C2	C3	H9	119.795
C2	C4	H8	116.601	C2	C4	H10	119.795
C3	C1	C4	96.389	C3	C1	H5	131.689
C3	C2	C4	96.389	C3	C2	H6	131.689
C4	C1	H5	131.689	C4	C2	H6	131.689
H7	C3	H9	114.119	H8	C4	H10	114.119

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

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	C	-0.102
2	C	-0.102
3	C	-0.126
4	C	-0.126
5	H	0.086
6	H	0.086
7	H	0.074
8	H	0.074
9	H	0.069
10	H	0.069

<r²>	62.851
(<r²>)^1/2	7.928

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

using model chemistry: B2PLYP/STO-3G

States and conformations

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