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	hartrees
Energy at 0K	-155.477686
Energy at 298.15K	-155.484081
HF Energy	-154.884792
Nuclear repulsion energy	116.464914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3338	3145	1.44
2	A₁	3253	3065	26.59
3	A₁	3150	2968	45.45
4	A₁	1587	1496	0.00
5	A₁	1336	1259	2.11
6	A₁	1141	1075	0.06
7	A₁	893	841	0.05
8	A₁	713	672	7.10
9	A₁	433	408	1.11
10	A₂	1228	1158	0.00
11	A₂	1128	1063	0.00
12	A₂	954	899	0.00
13	A₂	893	841	0.00
14	B₁	3324	3132	3.02
15	B₁	1210	1140	17.21
16	B₁	1175	1107	5.66
17	B₁	1043	983	4.51
18	B₁	781	735	78.93
19	B₂	3254	3067	12.57
20	B₂	3154	2972	39.42
21	B₂	1550	1460	0.37
22	B₂	1370	1291	0.40
23	B₂	1139	1073	0.91
24	B₂	981	924	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.746	0.000	-0.318
C2	-0.746	0.000	-0.318
C3	0.000	1.134	0.314
C4	0.000	-1.134	0.314
H5	1.425	0.000	-1.153
H6	-1.425	0.000	-1.153
H7	0.000	2.079	-0.218
H8	0.000	-2.079	-0.218
H9	0.000	1.231	1.398
H10	0.000	-1.231	1.398

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4927	1.4974	1.4974	1.0757	2.3260	2.2110	2.2110	2.2399	2.2399
C2	1.4927		1.4974	1.4974	2.3260	1.0757	2.2110	2.2110	2.2399	2.2399
C3	1.4974	1.4974		2.2675	2.3383	2.3383	1.0845	3.2563	1.0881	2.6012
C4	1.4974	1.4974	2.2675		2.3383	2.3383	3.2563	1.0845	2.6012	1.0881
H5	1.0757	2.3260	2.3383	2.3383		2.8494	2.6880	2.6880	3.1705	3.1705
H6	2.3260	1.0757	2.3383	2.3383	2.8494		2.6880	2.6880	3.1705	3.1705
H7	2.2110	2.2110	1.0845	3.2563	2.6880	2.6880		4.1576	1.8248	3.6831
H8	2.2110	2.2110	3.2563	1.0845	2.6880	2.6880	4.1576		3.6831	1.8248
H9	2.2399	2.2399	1.0881	2.6012	3.1705	3.1705	1.8248	3.6831		2.4619
H10	2.2399	2.2399	2.6012	1.0881	3.1705	3.1705	3.6831	1.8248	2.4619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.105	C1	C2	C4	60.105
C1	C2	H6	129.097	C1	C3	C2	59.790
C1	C3	H7	116.910	C1	C3	H9	119.222
C1	C4	C2	59.790	C1	C4	H8	116.910
C1	C4	H10	119.222	C2	C1	C3	60.105
C2	C1	C4	60.105	C2	C1	H5	129.097
C2	C3	H7	116.910	C2	C3	H9	119.222
C2	C4	H8	116.910	C2	C4	H10	119.222
C3	C1	C4	98.427	C3	C1	H5	129.943
C3	C2	C4	98.427	C3	C2	H6	129.943
C4	C1	H5	129.943	C4	C2	H6	129.943
H7	C3	H9	114.259	H8	C4	H10	114.259

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

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

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

States and conformations

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