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	hartrees
Energy at 0K	-155.871321
Energy at 298.15K	-155.877660
HF Energy	-155.634548
Nuclear repulsion energy	116.804692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3279	3134	1.11
2	A₁	3191	3050	20.74
3	A₁	3086	2950	53.13
4	A₁	1544	1475	0.12
5	A₁	1306	1248	2.28
6	A₁	1119	1070	0.18
7	A₁	878	839	0.03
8	A₁	694	663	6.25
9	A₁	427	408	1.17
10	A₂	1192	1140	0.00
11	A₂	1096	1048	0.00
12	A₂	932	891	0.00
13	A₂	860	822	0.00
14	B₁	3266	3122	3.17
15	B₁	1177	1125	11.51
16	B₁	1150	1099	15.92
17	B₁	1019	974	4.05
18	B₁	754	721	69.57
19	B₂	3193	3052	11.87
20	B₂	3092	2955	42.54
21	B₂	1507	1441	0.03
22	B₂	1325	1266	0.11
23	B₂	1115	1065	0.70
24	B₂	961	919	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.743	0.000	-0.319
C2	-0.743	0.000	-0.319
C3	0.000	1.131	0.313
C4	0.000	-1.131	0.313
H5	1.422	0.000	-1.149
H6	-1.422	0.000	-1.149
H7	0.000	2.074	-0.215
H8	0.000	-2.074	-0.215
H9	0.000	1.219	1.396
H10	0.000	-1.219	1.396

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4861	1.4935	1.4935	1.0727	2.3186	2.2060	2.2060	2.2310	2.2310
C2	1.4861		1.4935	1.4935	2.3186	1.0727	2.2060	2.2060	2.2310	2.2310
C3	1.4935	1.4935		2.2619	2.3324	2.3324	1.0813	3.2487	1.0859	2.5873
C4	1.4935	1.4935	2.2619		2.3324	2.3324	3.2487	1.0813	2.5873	1.0859
H5	1.0727	2.3186	2.3324	2.3324		2.8433	2.6829	2.6829	3.1599	3.1599
H6	2.3186	1.0727	2.3324	2.3324	2.8433		2.6829	2.6829	3.1599	3.1599
H7	2.2060	2.2060	1.0813	3.2487	2.6829	2.6829		4.1490	1.8235	3.6663
H8	2.2060	2.2060	3.2487	1.0813	2.6829	2.6829	4.1490		3.6663	1.8235
H9	2.2310	2.2310	1.0859	2.5873	3.1599	3.1599	1.8235	3.6663		2.4383
H10	2.2310	2.2310	2.5873	1.0859	3.1599	3.1599	3.6663	1.8235	2.4383

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.164	C1	C2	C4	60.164
C1	C2	H6	129.243	C1	C3	C2	59.671
C1	C3	H7	117.005	C1	C3	H9	118.901
C1	C4	C2	59.671	C1	C4	H8	117.005
C1	C4	H10	118.901	C2	C1	C3	60.164
C2	C1	C4	60.164	C2	C1	H5	129.243
C2	C3	H7	117.005	C2	C3	H9	118.901
C2	C4	H8	117.005	C2	C4	H10	118.901
C3	C1	C4	98.442	C3	C1	H5	129.976
C3	C2	C4	98.442	C3	C2	H6	129.976
C4	C1	H5	129.976	C4	C2	H6	129.976
H7	C3	H9	114.578	H8	C4	H10	114.578

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/cc-pVTZ

States and conformations

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