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	hartrees
Energy at 0K	-155.721195
Energy at 298.15K	-155.727535
HF Energy	-154.925118
Nuclear repulsion energy	116.739993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3288	3166
2	A₁	3189	3071
3	A₁	3092	2978
4	A₁	1543	1486
5	A₁	1304	1256
6	A₁	1119	1077
7	A₁	880	847
8	A₁	689	664
9	A₁	427	411
10	A₂	1190	1146
11	A₂	1100	1060
12	A₂	932	898
13	A₂	867	835
14	B₁	3275	3154
15	B₁	1175	1131
16	B₁	1155	1112
17	B₁	1015	977
18	B₁	760	732
19	B₂	3191	3073
20	B₂	3098	2983
21	B₂	1507	1451
22	B₂	1326	1277
23	B₂	1114	1072
24	B₂	957	922

Atom	x (Å)	y (Å)	z (Å)
C1	0.745	0.000	-0.322
C2	-0.745	0.000	-0.322
C3	0.000	1.130	0.315
C4	0.000	-1.130	0.315
H5	1.426	0.000	-1.149
H6	-1.426	0.000	-1.149
H7	0.000	2.075	-0.209
H8	0.000	-2.075	-0.209
H9	0.000	1.207	1.398
H10	0.000	-1.207	1.398

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4896	1.4954	1.4954	1.0715	2.3230	2.2072	2.2072	2.2287	2.2287
C2	1.4896		1.4954	1.4954	2.3230	1.0715	2.2072	2.2072	2.2287	2.2287
C3	1.4954	1.4954		2.2591	2.3350	2.3350	1.0807	3.2468	1.0852	2.5750
C4	1.4954	1.4954	2.2591		2.3350	2.3350	3.2468	1.0807	2.5750	1.0852
H5	1.0715	2.3230	2.3350	2.3350		2.8518	2.6871	2.6871	3.1582	3.1582
H6	2.3230	1.0715	2.3350	2.3350	2.8518		2.6871	2.6871	3.1582	3.1582
H7	2.2072	2.2072	1.0807	3.2468	2.6871	2.6871		4.1493	1.8259	3.6537
H8	2.2072	2.2072	3.2468	1.0807	2.6871	2.6871	4.1493		3.6537	1.8259
H9	2.2287	2.2287	1.0852	2.5750	3.1582	3.1582	1.8259	3.6537		2.4138
H10	2.2287	2.2287	2.5750	1.0852	3.1582	3.1582	3.6537	1.8259	2.4138

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.128	C1	C2	C4	60.128
C1	C2	H6	129.469	C1	C3	C2	59.745
C1	C3	H7	117.000	C1	C3	H9	118.598
C1	C4	C2	59.745	C1	C4	H8	117.000
C1	C4	H10	118.598	C2	C1	C3	60.128
C2	C1	C4	60.128	C2	C1	H5	129.469
C2	C3	H7	117.000	C2	C3	H9	118.598
C2	C4	H8	117.000	C2	C4	H10	118.598
C3	C1	C4	98.111	C3	C1	H5	130.194
C3	C2	C4	98.111	C3	C2	H6	130.194
C4	C1	H5	130.194	C4	C2	H6	130.194
H7	C3	H9	114.925	H8	C4	H10	114.925

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

using model chemistry: MP4=FULL/cc-pVTZ

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: MP4=FULL/cc-pVTZ

States and conformations

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