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	hartrees
Energy at 0K	-155.810618
Energy at 298.15K	-155.816916
HF Energy	-155.607450
Nuclear repulsion energy	116.311675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3269	3269	4.39
2	A₁	3190	3190	28.61
3	A₁	3084	3084	61.62
4	A₁	1554	1554	0.27
5	A₁	1306	1306	2.43
6	A₁	1120	1120	0.12
7	A₁	867	867	0.05
8	A₁	664	664	6.04
9	A₁	416	416	1.68
10	A₂	1199	1199	0.00
11	A₂	1095	1095	0.00
12	A₂	935	935	0.00
13	A₂	868	868	0.00
14	B₁	3256	3256	6.29
15	B₁	1185	1185	13.18
16	B₁	1151	1151	16.05
17	B₁	1013	1013	3.40
18	B₁	752	752	80.62
19	B₂	3192	3192	16.47
20	B₂	3088	3088	49.71
21	B₂	1519	1519	0.02
22	B₂	1333	1333	0.00
23	B₂	1123	1123	0.47
24	B₂	963	963	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.751	0.000	-0.312
C2	-0.751	0.000	-0.312
C3	0.000	1.136	0.311
C4	0.000	-1.136	0.311
H5	1.411	0.000	-1.164
H6	-1.411	0.000	-1.164
H7	0.000	2.080	-0.226
H8	0.000	-2.080	-0.226
H9	0.000	1.240	1.396
H10	0.000	-1.240	1.396

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5017	1.4977	1.4977	1.0779	2.3239	2.2133	2.2133	2.2407	2.2407
C2	1.5017		1.4977	1.4977	2.3239	1.0779	2.2133	2.2133	2.2407	2.2407
C3	1.4977	1.4977		2.2724	2.3363	2.3363	1.0860	3.2609	1.0904	2.6124
C4	1.4977	1.4977	2.2724		2.3363	2.3363	3.2609	1.0860	2.6124	1.0904
H5	1.0779	2.3239	2.3363	2.3363		2.8225	2.6831	2.6831	3.1758	3.1758
H6	2.3239	1.0779	2.3363	2.3363	2.8225		2.6831	2.6831	3.1758	3.1758
H7	2.2133	2.2133	1.0860	3.2609	2.6831	2.6831		4.1605	1.8269	3.6954
H8	2.2133	2.2133	3.2609	1.0860	2.6831	2.6831	4.1605		3.6954	1.8269
H9	2.2407	2.2407	1.0904	2.6124	3.1758	3.1758	1.8269	3.6954		2.4802
H10	2.2407	2.2407	2.6124	1.0904	3.1758	3.1758	3.6954	1.8269	2.4802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.911	C1	C2	C4	59.911
C1	C2	H6	127.783	C1	C3	C2	60.178
C1	C3	H7	116.984	C1	C3	H9	119.109
C1	C4	C2	60.178	C1	C4	H8	116.984
C1	C4	H10	119.109	C2	C1	C3	59.911
C2	C1	C4	59.911	C2	C1	H5	127.783
C2	C3	H7	116.984	C2	C3	H9	119.109
C2	C4	H8	116.984	C2	C4	H10	119.109
C3	C1	C4	98.687	C3	C1	H5	129.495
C3	C2	C4	98.687	C3	C2	H6	129.495
C4	C1	H5	129.495	C4	C2	H6	129.495
H7	C3	H9	114.161	H8	C4	H10	114.161

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

using model chemistry: B2PLYP=FULL/6-311G*

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/6-311G*

States and conformations

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