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	hartrees
Energy at 0K	-155.756447
Energy at 298.15K	-155.762776
HF Energy	-155.579382
Nuclear repulsion energy	116.399322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3295	3125	2.71
2	A₁	3211	3045	24.49
3	A₁	3108	2948	54.16
4	A₁	1576	1494	0.03
5	A₁	1323	1255	1.49
6	A₁	1132	1074	0.00
7	A₁	881	836	0.37
8	A₁	689	654	7.73
9	A₁	423	401	1.45
10	A₂	1213	1150	0.00
11	A₂	1111	1054	0.00
12	A₂	947	898	0.00
13	A₂	874	829	0.00
14	B₁	3284	3114	5.53
15	B₁	1199	1137	15.81
16	B₁	1166	1106	6.04
17	B₁	1028	975	2.56
18	B₁	769	729	66.91
19	B₂	3213	3047	14.52
20	B₂	3111	2951	41.58
21	B₂	1539	1459	0.62
22	B₂	1353	1283	0.08
23	B₂	1134	1076	0.46
24	B₂	975	925	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.747	0.000	-0.314
C2	-0.747	0.000	-0.314
C3	0.000	1.135	0.311
C4	0.000	-1.135	0.311
H5	1.425	0.000	-1.155
H6	-1.425	0.000	-1.155
H7	0.000	2.081	-0.225
H8	0.000	-2.081	-0.225
H9	0.000	1.242	1.398
H10	0.000	-1.242	1.398

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4947	1.4959	1.4959	1.0792	2.3288	2.2125	2.2125	2.2437	2.2437
C2	1.4947		1.4959	1.4959	2.3288	1.0792	2.2125	2.2125	2.2437	2.2437
C3	1.4959	1.4959		2.2693	2.3381	2.3381	1.0877	3.2598	1.0922	2.6133
C4	1.4959	1.4959	2.2693		2.3381	2.3381	3.2598	1.0877	2.6133	1.0922
H5	1.0792	2.3288	2.3381	2.3381		2.8490	2.6873	2.6873	3.1765	3.1765
H6	2.3288	1.0792	2.3381	2.3381	2.8490		2.6873	2.6873	3.1765	3.1765
H7	2.2125	2.2125	1.0877	3.2598	2.6873	2.6873		4.1612	1.8276	3.6980
H8	2.2125	2.2125	3.2598	1.0877	2.6873	2.6873	4.1612		3.6980	1.8276
H9	2.2437	2.2437	1.0922	2.6133	3.1765	3.1765	1.8276	3.6980		2.4837
H10	2.2437	2.2437	2.6133	1.0922	3.1765	3.1765	3.6980	1.8276	2.4837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.028	C1	C2	C4	60.028
C1	C2	H6	128.863	C1	C3	C2	59.945
C1	C3	H7	116.945	C1	C3	H9	119.395
C1	C4	C2	59.945	C1	C4	H8	116.945
C1	C4	H10	119.395	C2	C1	C3	60.028
C2	C1	C4	60.028	C2	C1	H5	128.863
C2	C3	H7	116.945	C2	C3	H9	119.395
C2	C4	H8	116.945	C2	C4	H10	119.395
C3	C1	C4	98.667	C3	C1	H5	129.737
C3	C2	C4	98.667	C3	C2	H6	129.737
C4	C1	H5	129.737	C4	C2	H6	129.737
H7	C3	H9	113.947	H8	C4	H10	113.947

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

using model chemistry: B2PLYP=FULL/6-31G*

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: B2PLYP=FULL/6-31G*

States and conformations

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