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	hartrees
Energy at 0K	-154.380194
Energy at 298.15K	-154.386550
HF Energy	-153.984129
Nuclear repulsion energy	114.433866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3308	3164	0.80
2	A₁	3198	3059	23.85
3	A₁	3107	2972	25.89
4	A₁	1576	1508	0.58
5	A₁	1245	1191	1.00
6	A₁	1101	1053	0.08
7	A₁	827	791	16.33
8	A₁	823	787	0.12
9	A₁	448	428	2.15
10	A₂	1229	1176	0.00
11	A₂	1144	1095	0.00
12	A₂	971	929	0.00
13	A₂	799	764	0.00
14	B₁	3292	3149	0.93
15	B₁	1203	1151	37.39
16	B₁	1173	1122	2.11
17	B₁	1046	1001	1.34
18	B₁	737	705	50.83
19	B₂	3198	3059	6.78
20	B₂	3110	2975	24.25
21	B₂	1550	1483	0.01
22	B₂	1306	1250	0.04
23	B₂	1063	1016	0.99
24	B₂	964	922	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.762	0.000	-0.342
C2	-0.762	0.000	-0.342
C3	0.000	1.150	0.327
C4	0.000	-1.150	0.327
H5	1.502	0.000	-1.123
H6	-1.502	0.000	-1.123
H7	0.000	2.101	-0.204
H8	0.000	-2.101	-0.204
H9	0.000	1.227	1.416
H10	0.000	-1.227	1.416

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5236	1.5333	1.5333	1.0762	2.3949	2.2395	2.2395	2.2751	2.2751
C2	1.5236		1.5333	1.5333	2.3949	1.0762	2.2395	2.2395	2.2751	2.2751
C3	1.5333	1.5333		2.2999	2.3840	2.3840	1.0896	3.2945	1.0911	2.6143
C4	1.5333	1.5333	2.2999		2.3840	2.3840	3.2945	1.0896	2.6143	1.0911
H5	1.0762	2.3949	2.3840	2.3840		3.0042	2.7419	2.7419	3.1951	3.1951
H6	2.3949	1.0762	2.3840	2.3840	3.0042		2.7419	2.7419	3.1951	3.1951
H7	2.2395	2.2395	1.0896	3.2945	2.7419	2.7419		4.2029	1.8404	3.7014
H8	2.2395	2.2395	3.2945	1.0896	2.7419	2.7419	4.2029		3.7014	1.8404
H9	2.2751	2.2751	1.0911	2.6143	3.1951	3.1951	1.8404	3.7014		2.4539
H10	2.2751	2.2751	2.6143	1.0911	3.1951	3.1951	3.7014	1.8404	2.4539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.210	C1	C2	C4	60.210
C1	C2	H6	133.464	C1	C3	C2	59.579
C1	C3	H7	116.236	C1	C3	H9	119.243
C1	C4	C2	59.579	C1	C4	H8	116.236
C1	C4	H10	119.243	C2	C1	C3	60.210
C2	C1	C4	60.210	C2	C1	H5	133.464
C2	C3	H7	116.236	C2	C3	H9	119.243
C2	C4	H8	116.236	C2	C4	H10	119.243
C3	C1	C4	97.179	C3	C1	H5	131.201
C3	C2	C4	97.179	C3	C2	H6	131.201
C4	C1	H5	131.201	C4	C2	H6	131.201
H7	C3	H9	115.121	H8	C4	H10	115.121

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

using model chemistry: CCD/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: CCD/3-21G*

States and conformations

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