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	hartrees
Energy at 0K	-155.476232
Energy at 298.15K	-155.482625
HF Energy	-154.884777
Nuclear repulsion energy	116.472846

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3358	3124	1.30
2	A₁	3272	3044	25.68
3	A₁	3167	2947	45.96
4	A₁	1590	1479	0.01
5	A₁	1336	1243	2.10
6	A₁	1142	1063	0.08
7	A₁	893	831	0.06
8	A₁	709	660	6.72
9	A₁	431	401	1.10
10	A₂	1231	1146	0.00
11	A₂	1128	1050	0.00
12	A₂	956	890	0.00
13	A₂	895	833	0.00
14	B₁	3344	3112	2.82
15	B₁	1213	1129	17.45
16	B₁	1177	1095	6.41
17	B₁	1043	970	4.49
18	B₁	778	724	81.46
19	B₂	3274	3046	12.27
20	B₂	3172	2952	38.49
21	B₂	1552	1445	0.34
22	B₂	1371	1276	0.42
23	B₂	1143	1064	0.87
24	B₂	983	914	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.747	0.000	-0.317
C2	-0.747	0.000	-0.317
C3	0.000	1.135	0.313
C4	0.000	-1.135	0.313
H5	1.419	0.000	-1.155
H6	-1.419	0.000	-1.155
H7	0.000	2.078	-0.219
H8	0.000	-2.078	-0.219
H9	0.000	1.232	1.396
H10	0.000	-1.232	1.396

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4945	1.4977	1.4977	1.0742	2.3228	2.2101	2.2101	2.2380	2.2380
C2	1.4945		1.4977	1.4977	2.3228	1.0742	2.2101	2.2101	2.2380	2.2380
C3	1.4977	1.4977		2.2693	2.3362	2.3362	1.0831	3.2562	1.0867	2.6020
C4	1.4977	1.4977	2.2693		2.3362	2.3362	3.2562	1.0831	2.6020	1.0867
H5	1.0742	2.3228	2.3362	2.3362		2.8381	2.6845	2.6845	3.1683	3.1683
H6	2.3228	1.0742	2.3362	2.3362	2.8381		2.6845	2.6845	3.1683	3.1683
H7	2.2101	2.2101	1.0831	3.2562	2.6845	2.6845		4.1553	1.8233	3.6823
H8	2.2101	2.2101	3.2562	1.0831	2.6845	2.6845	4.1553		3.6823	1.8233
H9	2.2380	2.2380	1.0867	2.6020	3.1683	3.1683	1.8233	3.6823		2.4631
H10	2.2380	2.2380	2.6020	1.0867	3.1683	3.1683	3.6823	1.8233	2.4631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.071	C1	C2	C4	60.071
C1	C2	H6	128.712	C1	C3	C2	59.859
C1	C3	H7	116.911	C1	C3	H9	119.130
C1	C4	C2	59.859	C1	C4	H8	116.911
C1	C4	H10	119.130	C2	C1	C3	60.071
C2	C1	C4	60.071	C2	C1	H5	128.712
C2	C3	H7	116.911	C2	C3	H9	119.130
C2	C4	H8	116.911	C2	C4	H10	119.130
C3	C1	C4	98.501	C3	C1	H5	129.826
C3	C2	C4	98.501	C3	C2	H6	129.826
C4	C1	H5	129.826	C4	C2	H6	129.826
H7	C3	H9	114.343	H8	C4	H10	114.343

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

using model chemistry: MP3/6-31+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: MP3/6-31+G**

States and conformations

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