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	hartrees
Energy at 0K	-155.778022
Energy at 298.15K	-155.784366
HF Energy	-155.589286
Nuclear repulsion energy	116.491056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3303	3303	2.14
2	A₁	3218	3218	24.99
3	A₁	3110	3110	52.72
4	A₁	1569	1569	0.02
5	A₁	1321	1321	1.55
6	A₁	1129	1129	0.00
7	A₁	882	882	0.40
8	A₁	695	695	7.45
9	A₁	425	425	1.26
10	A₂	1210	1210	0.00
11	A₂	1109	1109	0.00
12	A₂	946	946	0.00
13	A₂	872	872	0.00
14	B₁	3291	3291	4.98
15	B₁	1196	1196	14.96
16	B₁	1164	1164	5.67
17	B₁	1027	1027	2.61
18	B₁	770	770	63.92
19	B₂	3219	3219	13.34
20	B₂	3113	3113	41.86
21	B₂	1531	1531	0.69
22	B₂	1351	1351	0.16
23	B₂	1130	1130	0.45
24	B₂	971	971	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.746	0.000	-0.317
C2	-0.746	0.000	-0.317
C3	0.000	1.134	0.312
C4	0.000	-1.134	0.312
H5	1.428	0.000	-1.151
H6	-1.428	0.000	-1.151
H7	0.000	2.079	-0.222
H8	0.000	-2.079	-0.222
H9	0.000	1.236	1.398
H10	0.000	-1.236	1.398

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4925	1.4958	1.4958	1.0769	2.3283	2.2106	2.2106	2.2411	2.2411
C2	1.4925		1.4958	1.4958	2.3283	1.0769	2.2106	2.2106	2.2411	2.2411
C3	1.4958	1.4958		2.2671	2.3373	2.3373	1.0856	3.2564	1.0901	2.6061
C4	1.4958	1.4958	2.2671		2.3373	2.3373	3.2564	1.0856	2.6061	1.0901
H5	1.0769	2.3283	2.3373	2.3373		2.8552	2.6873	2.6873	3.1715	3.1715
H6	2.3283	1.0769	2.3373	2.3373	2.8552		2.6873	2.6873	3.1715	3.1715
H7	2.2106	2.2106	1.0856	3.2564	2.6873	2.6873		4.1574	1.8256	3.6890
H8	2.2106	2.2106	3.2564	1.0856	2.6873	2.6873	4.1574		3.6890	1.8256
H9	2.2411	2.2411	1.0901	2.6061	3.1715	3.1715	1.8256	3.6890		2.4717
H10	2.2411	2.2411	2.6061	1.0901	3.1715	3.1715	3.6890	1.8256	2.4717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.072	C1	C2	C4	60.072
C1	C2	H6	129.248	C1	C3	C2	59.856
C1	C3	H7	116.931	C1	C3	H9	119.320
C1	C4	C2	59.856	C1	C4	H8	116.931
C1	C4	H10	119.320	C2	C1	C3	60.072
C2	C1	C4	60.072	C2	C1	H5	129.248
C2	C3	H7	116.931	C2	C3	H9	119.320
C2	C4	H8	116.931	C2	C4	H10	119.320
C3	C1	C4	98.549	C3	C1	H5	129.884
C3	C2	C4	98.549	C3	C2	H6	129.884
C4	C1	H5	129.884	C4	C2	H6	129.884
H7	C3	H9	114.089	H8	C4	H10	114.089

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)