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	hartrees
Energy at 0K	-155.425500
Energy at 298.15K	-155.431864
HF Energy	-154.870523
Nuclear repulsion energy	116.238037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3287	3130	2.22
2	A₁	3199	3046	25.44
3	A₁	3103	2955	46.59
4	A₁	1579	1504	0.03
5	A₁	1333	1270	1.47
6	A₁	1138	1084	0.01
7	A₁	894	851	0.27
8	A₁	702	668	8.03
9	A₁	434	413	1.44
10	A₂	1222	1164	0.00
11	A₂	1119	1065	0.00
12	A₂	955	910	0.00
13	A₂	889	847	0.00
14	B₁	3275	3119	4.70
15	B₁	1209	1151	17.02
16	B₁	1166	1110	5.37
17	B₁	1035	986	3.31
18	B₁	782	745	68.45
19	B₂	3200	3047	13.36
20	B₂	3106	2958	37.62
21	B₂	1541	1468	0.22
22	B₂	1367	1302	0.08
23	B₂	1136	1081	0.59
24	B₂	978	931	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.741	0.000	-0.322
C2	-0.741	0.000	-0.322
C3	0.000	1.135	0.315
C4	0.000	-1.135	0.315
H5	1.449	0.000	-1.142
H6	-1.449	0.000	-1.142
H7	0.000	2.086	-0.220
H8	0.000	-2.086	-0.220
H9	0.000	1.238	1.405
H10	0.000	-1.238	1.405

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4826	1.4976	1.4976	1.0830	2.3386	2.2161	2.2161	2.2507	2.2507
C2	1.4826		1.4976	1.4976	2.3386	1.0830	2.2161	2.2161	2.2507	2.2507
C3	1.4976	1.4976		2.2694	2.3473	2.3473	1.0915	3.2648	1.0951	2.6111
C4	1.4976	1.4976	2.2694		2.3473	2.3473	3.2648	1.0915	2.6111	1.0951
H5	1.0830	2.3386	2.3473	2.3473		2.8978	2.7019	2.7019	3.1812	3.1812
H6	2.3386	1.0830	2.3473	2.3473	2.8978		2.7019	2.7019	3.1812	3.1812
H7	2.2161	2.2161	1.0915	3.2648	2.7019	2.7019		4.1720	1.8334	3.7000
H8	2.2161	2.2161	3.2648	1.0915	2.7019	2.7019	4.1720		3.7000	1.8334
H9	2.2507	2.2507	1.0951	2.6111	3.1812	3.1812	1.8334	3.7000		2.4758
H10	2.2507	2.2507	2.6111	1.0951	3.1812	3.1812	3.7000	1.8334	2.4758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.332	C1	C2	C4	60.332
C1	C2	H6	130.798	C1	C3	C2	59.335
C1	C3	H7	116.852	C1	C3	H9	119.666
C1	C4	C2	59.335	C1	C4	H8	116.852
C1	C4	H10	119.666	C2	C1	C3	60.332
C2	C1	C4	60.332	C2	C1	H5	130.798
C2	C3	H7	116.852	C2	C3	H9	119.666
C2	C4	H8	116.852	C2	C4	H10	119.666
C3	C1	C4	98.514	C3	C1	H5	130.200
C3	C2	C4	98.514	C3	C2	H6	130.200
C4	C1	H5	130.200	C4	C2	H6	130.200
H7	C3	H9	113.956	H8	C4	H10	113.956

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

using model chemistry: QCISD/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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All results from a given calculation for C4H6 (Bicyclo[1.1.0]butane)

using model chemistry: QCISD/6-31G*

States and conformations

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