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	hartrees
Energy at 0K	-155.502368
Energy at 298.15K	-155.508681
HF Energy	-154.886935
Nuclear repulsion energy	115.486554

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3314	3314	1.21
2	A₁	3224	3224	23.05
3	A₁	3111	3111	48.47
4	A₁	1537	1537	0.01
5	A₁	1304	1304	2.45
6	A₁	1111	1111	0.17
7	A₁	875	875	0.00
8	A₁	674	674	5.67
9	A₁	419	419	1.12
10	A₂	1187	1187	0.00
11	A₂	1086	1086	0.00
12	A₂	928	928	0.00
13	A₂	872	872	0.00
14	B₁	3299	3299	1.93
15	B₁	1178	1178	11.44
16	B₁	1137	1137	10.25
17	B₁	1000	1000	3.85
18	B₁	754	754	71.50
19	B₂	3226	3226	11.14
20	B₂	3116	3116	38.87
21	B₂	1497	1497	0.06
22	B₂	1331	1331	0.36
23	B₂	1106	1106	0.55
24	B₂	941	941	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.754	0.000	-0.322
C2	-0.754	0.000	-0.322
C3	0.000	1.142	0.318
C4	0.000	-1.142	0.318
H5	1.437	0.000	-1.165
H6	-1.437	0.000	-1.165
H7	0.000	2.096	-0.217
H8	0.000	-2.096	-0.217
H9	0.000	1.227	1.412
H10	0.000	-1.227	1.412

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5077	1.5104	1.5104	1.0848	2.3472	2.2299	2.2299	2.2546	2.2546
C2	1.5077		1.5104	1.5104	2.3472	1.0848	2.2299	2.2299	2.2546	2.2546
C3	1.5104	1.5104		2.2834	2.3593	2.3593	1.0937	3.2815	1.0978	2.6098
C4	1.5104	1.5104	2.2834		2.3593	2.3593	3.2815	1.0937	2.6098	1.0978
H5	1.0848	2.3472	2.3593	2.3593		2.8737	2.7123	2.7123	3.1958	3.1958
H6	2.3472	1.0848	2.3593	2.3593	2.8737		2.7123	2.7123	3.1958	3.1958
H7	2.2299	2.2299	1.0937	3.2815	2.7123	2.7123		4.1919	1.8459	3.7011
H8	2.2299	2.2299	3.2815	1.0937	2.7123	2.7123	4.1919		3.7011	1.8459
H9	2.2546	2.2546	1.0978	2.6098	3.1958	3.1958	1.8459	3.7011		2.4550
H10	2.2546	2.2546	2.6098	1.0978	3.1958	3.1958	3.7011	1.8459	2.4550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.060	C1	C2	C4	60.060
C1	C2	H6	129.021	C1	C3	C2	59.881
C1	C3	H7	116.902	C1	C3	H9	118.781
C1	C4	C2	59.881	C1	C4	H8	116.902
C1	C4	H10	118.781	C2	C1	C3	60.060
C2	C1	C4	60.060	C2	C1	H5	129.021
C2	C3	H7	116.902	C2	C3	H9	118.781
C2	C4	H8	116.902	C2	C4	H10	118.781
C3	C1	C4	98.208	C3	C1	H5	130.047
C3	C2	C4	98.208	C3	C2	H6	130.047
C4	C1	H5	130.047	C4	C2	H6	130.047
H7	C3	H9	114.771	H8	C4	H10	114.771

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

using model chemistry: MP3=FULL/aug-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: MP3=FULL/aug-cc-pVDZ

States and conformations

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