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	hartrees
Energy at 0K	-155.787393
Energy at 298.15K	-155.793738
HF Energy	-155.787393
Nuclear repulsion energy	116.616004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3285	3137	1.28
2	A₁	3199	3054	22.10
3	A₁	3086	2947	54.29
4	A₁	1540	1470	0.26
5	A₁	1325	1265	2.29
6	A₁	1118	1067	0.12
7	A₁	902	861	0.04
8	A₁	706	674	8.71
9	A₁	431	411	1.34
10	A₂	1186	1132	0.00
11	A₂	1086	1036	0.00
12	A₂	941	899	0.00
13	A₂	873	834	0.00
14	B₁	3272	3124	4.19
15	B₁	1183	1130	13.35
16	B₁	1138	1087	17.04
17	B₁	1012	967	4.16
18	B₁	777	742	78.85
19	B₂	3202	3057	13.62
20	B₂	3091	2952	42.98
21	B₂	1496	1429	0.00
22	B₂	1339	1279	0.07
23	B₂	1116	1066	1.26
24	B₂	956	913	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.742	0.000	-0.321
C2	-0.742	0.000	-0.321
C3	0.000	1.130	0.314
C4	0.000	-1.130	0.314
H5	1.433	0.000	-1.151
H6	-1.433	0.000	-1.151
H7	0.000	2.082	-0.215
H8	0.000	-2.082	-0.215
H9	0.000	1.221	1.404
H10	0.000	-1.221	1.404

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4839	1.4935	1.4935	1.0804	2.3281	2.2124	2.2124	2.2397	2.2397
C2	1.4839		1.4935	1.4935	2.3281	1.0804	2.2124	2.2124	2.2397	2.2397
C3	1.4935	1.4935		2.2602	2.3405	2.3405	1.0888	3.2550	1.0937	2.5916
C4	1.4935	1.4935	2.2602		2.3405	2.3405	3.2550	1.0888	2.5916	1.0937
H5	1.0804	2.3281	2.3405	2.3405		2.8660	2.6949	2.6949	3.1739	3.1739
H6	2.3281	1.0804	2.3405	2.3405	2.8660		2.6949	2.6949	3.1739	3.1739
H7	2.2124	2.2124	1.0888	3.2550	2.6949	2.6949		4.1631	1.8336	3.6783
H8	2.2124	2.2124	3.2550	1.0888	2.6949	2.6949	4.1631		3.6783	1.8336
H9	2.2397	2.2397	1.0937	2.5916	3.1739	3.1739	1.8336	3.6783		2.4424
H10	2.2397	2.2397	2.5916	1.0937	3.1739	3.1739	3.6783	1.8336	2.4424

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.214	C1	C2	C4	60.214
C1	C2	H6	129.765	C1	C3	C2	59.572
C1	C3	H7	117.037	C1	C3	H9	119.118
C1	C4	C2	59.572	C1	C4	H8	117.037
C1	C4	H10	119.118	C2	C1	C3	60.214
C2	C1	C4	60.214	C2	C1	H5	129.765
C2	C3	H7	117.037	C2	C3	H9	119.118
C2	C4	H8	117.037	C2	C4	H10	119.118
C3	C1	C4	98.342	C3	C1	H5	130.127
C3	C2	C4	98.342	C3	C2	H6	130.127
C4	C1	H5	130.127	C4	C2	H6	130.127
H7	C3	H9	114.311	H8	C4	H10	114.311

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

using model chemistry: HSEh1PBE/6-31+G**

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	-0.025
2	C	-0.025
3	C	-0.450
4	C	-0.450
5	H	0.162
6	H	0.162
7	H	0.159
8	H	0.159
9	H	0.154
10	H	0.154

<r²>	62.449
(<r²>)^1/2	7.902

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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