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	hartrees
Energy at 0K	-154.391537
Energy at 298.15K	-154.397835
HF Energy	-153.983099
Nuclear repulsion energy	114.068715

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3291	3192
2	A₁	3186	3090
3	A₁	3091	2997
4	A₁	1568	1521
5	A₁	1225	1188
6	A₁	1079	1047
7	A₁	809	785
8	A₁	783	759
9	A₁	430	417
10	A₂	1217	1181
11	A₂	1137	1103
12	A₂	963	934
13	A₂	779	756
14	B₁	3276	3177
15	B₁	1193	1157
16	B₁	1160	1125
17	B₁	1028	997
18	B₁	716	694
19	B₂	3187	3090
20	B₂	3094	3001
21	B₂	1544	1497
22	B₂	1292	1253
23	B₂	1051	1019
24	B₂	956	928

Atom	x (Å)	y (Å)	z (Å)
C1	0.768	0.000	-0.340
C2	-0.768	0.000	-0.340
C3	0.000	1.154	0.326
C4	0.000	-1.154	0.326
H5	1.503	0.000	-1.128
H6	-1.503	0.000	-1.128
H7	0.000	2.104	-0.209
H8	0.000	-2.104	-0.209
H9	0.000	1.234	1.416
H10	0.000	-1.234	1.416

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5363	1.5380	1.5380	1.0776	2.4042	2.2440	2.2440	2.2790	2.2790
C2	1.5363		1.5380	1.5380	2.4042	1.0776	2.2440	2.2440	2.2790	2.2790
C3	1.5380	1.5380		2.3081	2.3886	2.3886	1.0905	3.3020	1.0923	2.6246
C4	1.5380	1.5380	2.3081		2.3886	2.3886	3.3020	1.0905	2.6246	1.0923
H5	1.0776	2.4042	2.3886	2.3886		3.0065	2.7446	2.7446	3.2016	3.2016
H6	2.4042	1.0776	2.3886	2.3886	3.0065		2.7446	2.7446	3.2016	3.2016
H7	2.2440	2.2440	1.0905	3.3020	2.7446	2.7446		4.2088	1.8429	3.7123
H8	2.2440	2.2440	3.3020	1.0905	2.7446	2.7446	4.2088		3.7123	1.8429
H9	2.2790	2.2790	1.0923	2.6246	3.2016	3.2016	1.8429	3.7123		2.4675
H10	2.2790	2.2790	2.6246	1.0923	3.2016	3.2016	3.7123	1.8429	2.4675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.036	C1	C2	C4	60.036
C1	C2	H6	133.013	C1	C3	C2	59.927
C1	C3	H7	116.198	C1	C3	H9	119.119
C1	C4	C2	59.927	C1	C4	H8	116.198
C1	C4	H10	119.119	C2	C1	C3	60.036
C2	C1	C4	60.036	C2	C1	H5	133.013
C2	C3	H7	116.198	C2	C3	H9	119.119
C2	C4	H8	116.198	C2	C4	H10	119.119
C3	C1	C4	97.242	C3	C1	H5	131.097
C3	C2	C4	97.242	C3	C2	H6	131.097
C4	C1	H5	131.097	C4	C2	H6	131.097
H7	C3	H9	115.190	H8	C4	H10	115.190

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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