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	hartrees
Energy at 0K	-155.530980
Energy at 298.15K	-155.537207
HF Energy	-154.885855
Nuclear repulsion energy	115.093119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3265	3170
2	A₁	3178	3086
3	A₁	3065	2976
4	A₁	1514	1470
5	A₁	1275	1238
6	A₁	1092	1061
7	A₁	847	822
8	A₁	637	619
9	A₁	400	388
10	A₂	1169	1135
11	A₂	1069	1038
12	A₂	910	884
13	A₂	856	831
14	B₁	3251	3157
15	B₁	1154	1121
16	B₁	1122	1090
17	B₁	977	948
18	B₁	736	715
19	B₂	3180	3088
20	B₂	3070	2982
21	B₂	1476	1434
22	B₂	1308	1270
23	B₂	1091	1059
24	B₂	927	900

Atom	x (Å)	y (Å)	z (Å)
C1	0.760	0.000	-0.320
C2	-0.760	0.000	-0.320
C3	0.000	1.145	0.317
C4	0.000	-1.145	0.317
H5	1.436	0.000	-1.174
H6	-1.436	0.000	-1.174
H7	0.000	2.101	-0.221
H8	0.000	-2.101	-0.221
H9	0.000	1.234	1.415
H10	0.000	-1.234	1.415

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5197	1.5145	1.5145	1.0887	2.3556	2.2365	2.2365	2.2604	2.2604
C2	1.5197		1.5145	1.5145	2.3556	1.0887	2.2365	2.2365	2.2604	2.2604
C3	1.5145	1.5145		2.2898	2.3650	2.3650	1.0973	3.2903	1.1014	2.6201
C4	1.5145	1.5145	2.2898		2.3650	2.3650	3.2903	1.0973	2.6201	1.1014
H5	1.0887	2.3556	2.3650	2.3650		2.8714	2.7170	2.7170	3.2067	3.2067
H6	2.3556	1.0887	2.3650	2.3650	2.8714		2.7170	2.7170	3.2067	3.2067
H7	2.2365	2.2365	1.0973	3.2903	2.7170	2.7170		4.2022	1.8516	3.7149
H8	2.2365	2.2365	3.2903	1.0973	2.7170	2.7170	4.2022		3.7149	1.8516
H9	2.2604	2.2604	1.1014	2.6201	3.2067	3.2067	1.8516	3.7149		2.4682
H10	2.2604	2.2604	2.6201	1.1014	3.2067	3.2067	3.7149	1.8516	2.4682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.887	C1	C2	C4	59.887
C1	C2	H6	128.375	C1	C3	C2	60.227
C1	C3	H7	116.901	C1	C3	H9	118.710
C1	C4	C2	60.227	C1	C4	H8	116.901
C1	C4	H10	118.710	C2	C1	C3	59.887
C2	C1	C4	59.887	C2	C1	H5	128.375
C2	C3	H7	116.901	C2	C3	H9	118.710
C2	C4	H8	116.901	C2	C4	H10	118.710
C3	C1	C4	98.215	C3	C1	H5	129.877
C3	C2	C4	98.215	C3	C2	H6	129.877
C4	C1	H5	129.877	C4	C2	H6	129.877
H7	C3	H9	114.730	H8	C4	H10	114.730

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

using model chemistry: CCSD(T)=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: CCSD(T)=FULL/aug-cc-pVDZ

States and conformations

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