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	hartrees
Energy at 0K	-155.843824
Energy at 298.15K	-155.850058
HF Energy	-155.843824
Nuclear repulsion energy	116.013637

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3200	3137	8.15
2	A₁	3114	3053	27.38
3	A₁	3008	2949	73.43
4	A₁	1529	1499	0.00
5	A₁	1291	1266	1.28
6	A₁	1101	1080	0.00
7	A₁	881	863	0.97
8	A₁	658	646	6.75
9	A₁	408	400	1.30
10	A₂	1172	1149	0.00
11	A₂	1063	1042	0.00
12	A₂	927	909	0.00
13	A₂	849	832	0.00
14	B₁	3187	3125	14.08
15	B₁	1164	1142	12.95
16	B₁	1122	1100	8.85
17	B₁	989	969	1.78
18	B₁	752	737	63.95
19	B₂	3117	3056	24.07
20	B₂	3008	2949	56.64
21	B₂	1490	1461	1.12
22	B₂	1316	1290	0.07
23	B₂	1108	1086	0.30
24	B₂	949	930	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.749	0.000	-0.311
C2	-0.749	0.000	-0.311
C3	0.000	1.141	0.310
C4	0.000	-1.141	0.310
H5	1.421	0.000	-1.163
H6	-1.421	0.000	-1.163
H7	0.000	2.088	-0.237
H8	0.000	-2.088	-0.237
H9	0.000	1.257	1.403
H10	0.000	-1.257	1.403

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4976	1.4992	1.4992	1.0855	2.3313	2.2192	2.2192	2.2538	2.2538
C2	1.4976		1.4992	1.4992	2.3313	1.0855	2.2192	2.2192	2.2538	2.2538
C3	1.4992	1.4992		2.2811	2.3435	2.3435	1.0940	3.2743	1.0992	2.6349
C4	1.4992	1.4992	2.2811		2.3435	2.3435	3.2743	1.0940	2.6349	1.0992
H5	1.0855	2.3313	2.3435	2.3435		2.8424	2.6900	2.6900	3.1917	3.1917
H6	2.3313	1.0855	2.3435	2.3435	2.8424		2.6900	2.6900	3.1917	3.1917
H7	2.2192	2.2192	1.0940	3.2743	2.6900	2.6900		4.1755	1.8388	3.7253
H8	2.2192	2.2192	3.2743	1.0940	2.6900	2.6900	4.1755		3.7253	1.8388
H9	2.2538	2.2538	1.0992	2.6349	3.1917	3.1917	1.8388	3.7253		2.5138
H10	2.2538	2.2538	2.6349	1.0992	3.1917	3.1917	3.7253	1.8388	2.5138

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.356	C1	C2	C4	60.356
C1	C2	H6	130.750	C1	C3	C2	59.288
C1	C3	H7	116.874	C1	C3	H9	119.638
C1	C4	C2	59.288	C1	C4	H8	116.874
C1	C4	H10	119.638	C2	C1	C3	60.356
C2	C1	C4	60.356	C2	C1	H5	130.750
C2	C3	H7	116.874	C2	C3	H9	119.638
C2	C4	H8	116.874	C2	C4	H10	119.638
C3	C1	C4	98.915	C3	C1	H5	129.969
C3	C2	C4	98.915	C3	C2	H6	129.969
C4	C1	H5	129.969	C4	C2	H6	129.969
H7	C3	H9	113.981	H8	C4	H10	113.981

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

using model chemistry: B97D3/6-31G*

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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Number	Element	Mulliken
1	C	-0.111
2	C	-0.111
3	C	-0.331
4	C	-0.331
5	H	0.152
6	H	0.152
7	H	0.147
8	H	0.147
9	H	0.142
10	H	0.142

<r²>	62.666
(<r²>)^1/2	7.916

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

using model chemistry: B97D3/6-31G*

States and conformations

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