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	hartrees
Energy at 0K	-155.444927
Energy at 298.15K	-155.451209
HF Energy	-154.881888
Nuclear repulsion energy	115.678469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3312	3148	0.27
2	A₁	3239	3078	21.72
3	A₁	3121	2966	39.99
4	A₁	1531	1455	0.11
5	A₁	1301	1237	2.39
6	A₁	1110	1055	0.08
7	A₁	871	828	0.13
8	A₁	638	606	4.38
9	A₁	406	386	1.42
10	A₂	1190	1131	0.00
11	A₂	1089	1035	0.00
12	A₂	936	889	0.00
13	A₂	878	835	0.00
14	B₁	3299	3136	0.87
15	B₁	1178	1119	12.81
16	B₁	1146	1090	10.72
17	B₁	993	943	3.50
18	B₁	761	724	75.12
19	B₂	3241	3081	6.43
20	B₂	3127	2972	34.75
21	B₂	1490	1416	0.13
22	B₂	1341	1274	0.00
23	B₂	1120	1065	0.37
24	B₂	947	900	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.759	0.000	-0.312
C2	-0.759	0.000	-0.312
C3	0.000	1.138	0.313
C4	0.000	-1.138	0.313
H5	1.414	0.000	-1.180
H6	-1.414	0.000	-1.180
H7	0.000	2.090	-0.230
H8	0.000	-2.090	-0.230
H9	0.000	1.232	1.408
H10	0.000	-1.232	1.408

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5172	1.5039	1.5039	1.0875	2.3398	2.2251	2.2251	2.2486	2.2486
C2	1.5172		1.5039	1.5039	2.3398	1.0875	2.2251	2.2251	2.2486	2.2486
C3	1.5039	1.5039		2.2764	2.3504	2.3504	1.0958	3.2737	1.0998	2.6117
C4	1.5039	1.5039	2.2764		2.3504	2.3504	3.2737	1.0958	2.6117	1.0998
H5	1.0875	2.3398	2.3504	2.3504		2.8288	2.6966	2.6966	3.1969	3.1969
H6	2.3398	1.0875	2.3504	2.3504	2.8288		2.6966	2.6966	3.1969	3.1969
H7	2.2251	2.2251	1.0958	3.2737	2.6966	2.6966		4.1803	1.8494	3.7047
H8	2.2251	2.2251	3.2737	1.0958	2.6966	2.6966	4.1803		3.7047	1.8494
H9	2.2486	2.2486	1.0998	2.6117	3.1969	3.1969	1.8494	3.7047		2.4649
H10	2.2486	2.2486	2.6117	1.0998	3.1969	3.1969	3.7047	1.8494	2.4649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.707	C1	C2	C4	59.707
C1	C2	H6	127.083	C1	C3	C2	60.586
C1	C3	H7	116.846	C1	C3	H9	118.620
C1	C4	C2	60.586	C1	C4	H8	116.846
C1	C4	H10	118.620	C2	C1	C3	59.707
C2	C1	C4	59.707	C2	C1	H5	127.083
C2	C3	H7	116.846	C2	C3	H9	118.620
C2	C4	H8	116.846	C2	C4	H10	118.620
C3	C1	C4	98.369	C3	C1	H5	129.477
C3	C2	C4	98.369	C3	C2	H6	129.477
C4	C1	H5	129.477	C4	C2	H6	129.477
H7	C3	H9	114.772	H8	C4	H10	114.772

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

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVDZ

States and conformations

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