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	hartrees
Energy at 0K	-155.469975
Energy at 298.15K	-155.476310
HF Energy	-154.881936
Nuclear repulsion energy	115.503679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3294	3152	0.98
2	A₁	3214	3075	24.63
3	A₁	3107	2972	43.01
4	A₁	1542	1475	0.01
5	A₁	1313	1256	1.92
6	A₁	1118	1069	0.03
7	A₁	883	845	0.26
8	A₁	683	653	5.84
9	A₁	421	403	1.14
10	A₂	1196	1144	0.00
11	A₂	1099	1051	0.00
12	A₂	936	895	0.00
13	A₂	881	843	0.00
14	B₁	3281	3139	2.09
15	B₁	1191	1140	13.54
16	B₁	1147	1098	5.30
17	B₁	1009	966	4.41
18	B₁	770	737	68.47
19	B₂	3215	3076	9.80
20	B₂	3110	2975	36.58
21	B₂	1501	1436	0.18
22	B₂	1349	1290	0.09
23	B₂	1112	1064	0.52
24	B₂	949	908	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.754	0.000	-0.320
C2	-0.754	0.000	-0.320
C3	0.000	1.140	0.316
C4	0.000	-1.140	0.316
H5	1.439	0.000	-1.167
H6	-1.439	0.000	-1.167
H7	0.000	2.095	-0.225
H8	0.000	-2.095	-0.225
H9	0.000	1.236	1.414
H10	0.000	-1.236	1.414

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5071	1.5076	1.5076	1.0893	2.3503	2.2289	2.2289	2.2590	2.2590
C2	1.5071		1.5076	1.5076	2.3503	1.0893	2.2289	2.2289	2.2590	2.2590
C3	1.5076	1.5076		2.2804	2.3600	2.3600	1.0979	3.2806	1.1019	2.6178
C4	1.5076	1.5076	2.2804		2.3600	2.3600	3.2806	1.0979	2.6178	1.1019
H5	1.0893	2.3503	2.3600	2.3600		2.8781	2.7109	2.7109	3.2029	3.2029
H6	2.3503	1.0893	2.3600	2.3600	2.8781		2.7109	2.7109	3.2029	3.2029
H7	2.2289	2.2289	1.0979	3.2806	2.7109	2.7109		4.1910	1.8504	3.7131
H8	2.2289	2.2289	3.2806	1.0979	2.7109	2.7109	4.1910		3.7131	1.8504
H9	2.2590	2.2590	1.1019	2.6178	3.2029	3.2029	1.8504	3.7131		2.4727
H10	2.2590	2.2590	2.6178	1.1019	3.2029	3.2029	3.7131	1.8504	2.4727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.010	C1	C2	C4	60.010
C1	C2	H6	128.998	C1	C3	C2	59.979
C1	C3	H7	116.747	C1	C3	H9	119.108
C1	C4	C2	59.979	C1	C4	H8	116.747
C1	C4	H10	119.108	C2	C1	C3	60.010
C2	C1	C4	60.010	C2	C1	H5	128.998
C2	C3	H7	116.747	C2	C3	H9	119.108
C2	C4	H8	116.747	C2	C4	H10	119.108
C3	C1	C4	98.281	C3	C1	H5	129.984
C3	C2	C4	98.281	C3	C2	H6	129.984
C4	C1	H5	129.984	C4	C2	H6	129.984
H7	C3	H9	114.524	H8	C4	H10	114.524

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

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

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