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	hartrees
Energy at 0K	-155.467701
Energy at 298.15K	-155.474032
HF Energy	-154.881962
Nuclear repulsion energy	115.500242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3313	3141	0.83
2	A₁	3232	3064	23.85
3	A₁	3123	2960	43.49
4	A₁	1543	1463	0.02
5	A₁	1313	1244	1.92
6	A₁	1118	1060	0.04
7	A₁	883	837	0.24
8	A₁	677	642	5.44
9	A₁	418	397	1.11
10	A₂	1199	1136	0.00
11	A₂	1099	1042	0.00
12	A₂	937	889	0.00
13	A₂	883	837	0.00
14	B₁	3300	3128	2.00
15	B₁	1194	1132	13.85
16	B₁	1149	1089	5.94
17	B₁	1009	957	4.44
18	B₁	768	728	70.97
19	B₂	3234	3065	9.57
20	B₂	3127	2964	35.96
21	B₂	1502	1424	0.16
22	B₂	1349	1279	0.10
23	B₂	1115	1057	0.47
24	B₂	950	901	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.755	0.000	-0.318
C2	-0.755	0.000	-0.318
C3	0.000	1.141	0.316
C4	0.000	-1.141	0.316
H5	1.432	0.000	-1.169
H6	-1.432	0.000	-1.169
H7	0.000	2.094	-0.227
H8	0.000	-2.094	-0.227
H9	0.000	1.238	1.412
H10	0.000	-1.238	1.412

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5092	1.5081	1.5081	1.0877	2.3465	2.2281	2.2281	2.2575	2.2575
C2	1.5092		1.5081	1.5081	2.3465	1.0877	2.2281	2.2281	2.2575	2.2575
C3	1.5081	1.5081		2.2829	2.3577	2.3577	1.0964	3.2809	1.1005	2.6199
C4	1.5081	1.5081	2.2829		2.3577	2.3577	3.2809	1.0964	2.6199	1.1005
H5	1.0877	2.3465	2.3577	2.3577		2.8645	2.7067	2.7067	3.2010	3.2010
H6	2.3465	1.0877	2.3577	2.3577	2.8645		2.7067	2.7067	3.2010	3.2010
H7	2.2281	2.2281	1.0964	3.2809	2.7067	2.7067		4.1887	1.8487	3.7135
H8	2.2281	2.2281	3.2809	1.0964	2.7067	2.7067	4.1887		3.7135	1.8487
H9	2.2575	2.2575	1.1005	2.6199	3.2010	3.2010	1.8487	3.7135		2.4763
H10	2.2575	2.2575	2.6199	1.1005	3.2010	3.2010	3.7135	1.8487	2.4763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.976	C1	C2	C4	59.976
C1	C2	H6	128.536	C1	C3	C2	60.049
C1	C3	H7	116.737	C1	C3	H9	119.035
C1	C4	C2	60.049	C1	C4	H8	116.737
C1	C4	H10	119.035	C2	C1	C3	59.976
C2	C1	C4	59.976	C2	C1	H5	128.536
C2	C3	H7	116.737	C2	C3	H9	119.035
C2	C4	H8	116.737	C2	C4	H10	119.035
C3	C1	C4	98.378	C3	C1	H5	129.838
C3	C2	C4	98.378	C3	C2	H6	129.838
C4	C1	H5	129.838	C4	C2	H6	129.838
H7	C3	H9	114.598	H8	C4	H10	114.598

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

using model chemistry: MP3/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/cc-pVDZ

States and conformations

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