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	hartrees
Energy at 0K	-155.622016
Energy at 298.15K	-155.628378
HF Energy	-154.924981
Nuclear repulsion energy	116.596016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3293	3147	0.73
2	A₁	3201	3058	21.90
3	A₁	3098	2960	44.69
4	A₁	1553	1483	0.07
5	A₁	1314	1255	2.20
6	A₁	1125	1075	0.17
7	A₁	888	849	0.01
8	A₁	696	665	6.11
9	A₁	428	409	1.14
10	A₂	1201	1148	0.00
11	A₂	1106	1057	0.00
12	A₂	939	897	0.00
13	A₂	878	839	0.00
14	B₁	3280	3134	2.18
15	B₁	1190	1137	12.40
16	B₁	1158	1106	11.17
17	B₁	1024	979	4.27
18	B₁	766	732	70.26
19	B₂	3202	3059	10.14
20	B₂	3103	2965	38.58
21	B₂	1516	1448	0.03
22	B₂	1341	1281	0.19
23	B₂	1117	1068	0.65
24	B₂	960	917	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.740	0.000	-0.324
C2	-0.740	0.000	-0.324
C3	0.000	1.131	0.316
C4	0.000	-1.131	0.316
H5	1.441	0.000	-1.138
H6	-1.441	0.000	-1.138
H7	0.000	2.077	-0.213
H8	0.000	-2.077	-0.213
H9	0.000	1.222	1.400
H10	0.000	-1.222	1.400

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4797	1.4954	1.4954	1.0744	2.3280	2.2073	2.2073	2.2394	2.2394
C2	1.4797		1.4954	1.4954	2.3280	1.0744	2.2073	2.2073	2.2394	2.2394
C3	1.4954	1.4954		2.2613	2.3391	2.3391	1.0837	3.2505	1.0874	2.5906
C4	1.4954	1.4954	2.2613		2.3391	2.3391	3.2505	1.0837	2.5906	1.0874
H5	1.0744	2.3280	2.3391	2.3391		2.8823	2.6919	2.6919	3.1644	3.1644
H6	2.3280	1.0744	2.3391	2.3391	2.8823		2.6919	2.6919	3.1644	3.1644
H7	2.2073	2.2073	1.0837	3.2505	2.6919	2.6919		4.1531	1.8246	3.6719
H8	2.2073	2.2073	3.2505	1.0837	2.6919	2.6919	4.1531		3.6719	1.8246
H9	2.2394	2.2394	1.0874	2.5906	3.1644	3.1644	1.8246	3.6719		2.4449
H10	2.2394	2.2394	2.5906	1.0874	3.1644	3.1644	3.6719	1.8246	2.4449

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.346	C1	C2	C4	60.346
C1	C2	H6	130.749	C1	C3	C2	59.307
C1	C3	H7	116.797	C1	C3	H9	119.391
C1	C4	C2	59.307	C1	C4	H8	116.797
C1	C4	H10	119.391	C2	C1	C3	60.346
C2	C1	C4	60.346	C2	C1	H5	130.749
C2	C3	H7	116.797	C2	C3	H9	119.391
C2	C4	H8	116.797	C2	C4	H10	119.391
C3	C1	C4	98.237	C3	C1	H5	130.357
C3	C2	C4	98.237	C3	C2	H6	130.357
C4	C1	H5	130.357	C4	C2	H6	130.357
H7	C3	H9	114.367	H8	C4	H10	114.367

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

using model chemistry: QCISD/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/cc-pVTZ

States and conformations

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