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	hartrees
Energy at 0K	-155.556788
Energy at 298.15K	-155.563161
HF Energy	-154.890605
Nuclear repulsion energy	116.457823

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3315	3141	0.47
2	A₁	3225	3055	19.30
3	A₁	3123	2958	36.55
4	A₁	1558	1476	0.03
5	A₁	1323	1253	1.44
6	A₁	1129	1069	0.04
7	A₁	903	856	0.33
8	A₁	708	671	7.31
9	A₁	433	411	1.23
10	A₂	1203	1140	0.00
11	A₂	1108	1050	0.00
12	A₂	947	897	0.00
13	A₂	879	832	0.00
14	B₁	3301	3128	2.31
15	B₁	1199	1136	14.03
16	B₁	1159	1098	6.81
17	B₁	1029	975	2.77
18	B₁	779	738	60.63
19	B₂	3225	3056	8.55
20	B₂	3126	2962	33.48
21	B₂	1517	1438	0.21
22	B₂	1345	1275	0.10
23	B₂	1120	1061	0.62
24	B₂	961	910	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.740	0.000	-0.327
C2	-0.740	0.000	-0.327
C3	0.000	1.131	0.318
C4	0.000	-1.131	0.318
H5	1.445	0.000	-1.140
H6	-1.445	0.000	-1.140
H7	0.000	2.080	-0.211
H8	0.000	-2.080	-0.211
H9	0.000	1.224	1.404
H10	0.000	-1.224	1.404

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4799	1.4971	1.4971	1.0763	2.3313	2.2108	2.2108	2.2447	2.2447
C2	1.4799		1.4971	1.4971	2.3313	1.0763	2.2108	2.2108	2.2447	2.2447
C3	1.4971	1.4971		2.2615	2.3433	2.3433	1.0864	3.2540	1.0899	2.5927
C4	1.4971	1.4971	2.2615		2.3433	2.3433	3.2540	1.0864	2.5927	1.0899
H5	1.0763	2.3313	2.3433	2.3433		2.8898	2.6978	2.6978	3.1709	3.1709
H6	2.3313	1.0763	2.3433	2.3433	2.8898		2.6978	2.6978	3.1709	3.1709
H7	2.2108	2.2108	1.0864	3.2540	2.6978	2.6978		4.1601	1.8274	3.6770
H8	2.2108	2.2108	3.2540	1.0864	2.6978	2.6978	4.1601		3.6770	1.8274
H9	2.2447	2.2447	1.0899	2.5927	3.1709	3.1709	1.8274	3.6770		2.4472
H10	2.2447	2.2447	2.5927	1.0899	3.1709	3.1709	3.6770	1.8274	2.4472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.381	C1	C2	C4	60.381
C1	C2	H6	130.921	C1	C3	C2	59.238
C1	C3	H7	116.783	C1	C3	H9	119.552
C1	C4	C2	59.238	C1	C4	H8	116.783
C1	C4	H10	119.552	C2	C1	C3	60.381
C2	C1	C4	60.381	C2	C1	H5	130.921
C2	C3	H7	116.783	C2	C3	H9	119.552
C2	C4	H8	116.783	C2	C4	H10	119.552
C3	C1	C4	98.100	C3	C1	H5	130.465
C3	C2	C4	98.100	C3	C2	H6	130.465
C4	C1	H5	130.465	C4	C2	H6	130.465
H7	C3	H9	114.213	H8	C4	H10	114.213

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

using model chemistry: QCISD/6-31G(2df,p)

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(2df,p)

States and conformations

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