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	hartrees
Energy at 0K	-155.473345
Energy at 298.15K	-155.479656
HF Energy	-154.881710
Nuclear repulsion energy	115.410703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3286	3152	1.17
2	A₁	3204	3074	25.31
3	A₁	3098	2972	44.55
4	A₁	1537	1474	0.00
5	A₁	1305	1252	2.04
6	A₁	1113	1068	0.06
7	A₁	873	838	0.17
8	A₁	672	644	5.38
9	A₁	416	399	1.15
10	A₂	1193	1145	0.00
11	A₂	1094	1050	0.00
12	A₂	930	892	0.00
13	A₂	877	841	0.00
14	B₁	3273	3140	2.42
15	B₁	1184	1136	12.52
16	B₁	1145	1098	5.53
17	B₁	1004	963	4.11
18	B₁	763	732	69.38
19	B₂	3205	3075	10.60
20	B₂	3102	2976	38.71
21	B₂	1497	1436	0.27
22	B₂	1342	1288	0.11
23	B₂	1109	1064	0.42
24	B₂	946	907	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.755	0.000	-0.319
C2	-0.755	0.000	-0.319
C3	0.000	1.141	0.316
C4	0.000	-1.141	0.316
H5	1.437	0.000	-1.169
H6	-1.437	0.000	-1.169
H7	0.000	2.096	-0.226
H8	0.000	-2.096	-0.226
H9	0.000	1.239	1.414
H10	0.000	-1.239	1.414

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5108	1.5086	1.5086	1.0897	2.3516	2.2303	2.2303	2.2601	2.2601
C2	1.5108		1.5086	1.5086	2.3516	1.0897	2.2303	2.2303	2.2601	2.2601
C3	1.5086	1.5086		2.2824	2.3606	2.3606	1.0983	3.2827	1.1022	2.6212
C4	1.5086	1.5086	2.2824		2.3606	2.3606	3.2827	1.0983	2.6212	1.1022
H5	1.0897	2.3516	2.3606	2.3606		2.8743	2.7109	2.7109	3.2048	3.2048
H6	2.3516	1.0897	2.3606	2.3606	2.8743		2.7109	2.7109	3.2048	3.2048
H7	2.2303	2.2303	1.0983	3.2827	2.7109	2.7109		4.1928	1.8507	3.7168
H8	2.2303	2.2303	3.2827	1.0983	2.7109	2.7109	4.1928		3.7168	1.8507
H9	2.2601	2.2601	1.1022	2.6212	3.2048	3.2048	1.8507	3.7168		2.4779
H10	2.2601	2.2601	2.6212	1.1022	3.2048	3.2048	3.7168	1.8507	2.4779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.952	C1	C2	C4	59.952
C1	C2	H6	128.729	C1	C3	C2	60.096
C1	C3	H7	116.754	C1	C3	H9	119.092
C1	C4	C2	60.096	C1	C4	H8	116.754
C1	C4	H10	119.092	C2	C1	C3	59.952
C2	C1	C4	59.952	C2	C1	H5	128.729
C2	C3	H7	116.754	C2	C3	H9	119.092
C2	C4	H8	116.754	C2	C4	H10	119.092
C3	C1	C4	98.304	C3	C1	H5	129.906
C3	C2	C4	98.304	C3	C2	H6	129.906
C4	C1	H5	129.906	C4	C2	H6	129.906
H7	C3	H9	114.490	H8	C4	H10	114.490

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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