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	hartrees
Energy at 0K	-155.919178
Energy at 298.15K	-155.925546
HF Energy	-155.919178
Nuclear repulsion energy	116.817759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3275	3275	0.15
2	A₁	3187	3187	18.42
3	A₁	3080	3080	39.83
4	A₁	1541	1541	0.41
5	A₁	1329	1329	2.29
6	A₁	1117	1117	0.04
7	A₁	927	927	0.46
8	A₁	706	706	7.08
9	A₁	439	439	1.48
10	A₂	1179	1179	0.00
11	A₂	1077	1077	0.00
12	A₂	941	941	0.00
13	A₂	872	872	0.00
14	B₁	3262	3262	1.09
15	B₁	1184	1184	12.22
16	B₁	1132	1132	18.86
17	B₁	1010	1010	4.37
18	B₁	778	778	76.19
19	B₂	3190	3190	6.47
20	B₂	3085	3085	33.78
21	B₂	1495	1495	0.07
22	B₂	1338	1338	0.01
23	B₂	1112	1112	0.74
24	B₂	951	951	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.739	0.000	-0.323
C2	-0.739	0.000	-0.323
C3	0.000	1.129	0.317
C4	0.000	-1.129	0.317
H5	1.425	0.000	-1.153
H6	-1.425	0.000	-1.153
H7	0.000	2.077	-0.211
H8	0.000	-2.077	-0.211
H9	0.000	1.208	1.403
H10	0.000	-1.208	1.403

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4776	1.4934	1.4934	1.0766	2.3174	2.2078	2.2078	2.2329	2.2329
C2	1.4776		1.4934	1.4934	2.3174	1.0766	2.2078	2.2078	2.2329	2.2329
C3	1.4934	1.4934		2.2585	2.3376	2.3376	1.0849	3.2498	1.0895	2.5776
C4	1.4934	1.4934	2.2585		2.3376	2.3376	3.2498	1.0849	2.5776	1.0895
H5	1.0766	2.3174	2.3376	2.3376		2.8502	2.6896	2.6896	3.1659	3.1659
H6	2.3174	1.0766	2.3376	2.3376	2.8502		2.6896	2.6896	3.1659	3.1659
H7	2.2078	2.2078	1.0849	3.2498	2.6896	2.6896		4.1549	1.8331	3.6606
H8	2.2078	2.2078	3.2498	1.0849	2.6896	2.6896	4.1549		3.6606	1.8331
H9	2.2329	2.2329	1.0895	2.5776	3.1659	3.1659	1.8331	3.6606		2.4163
H10	2.2329	2.2329	2.5776	1.0895	3.1659	3.1659	3.6606	1.8331	2.4163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.350	C1	C2	C4	60.350
C1	C2	H6	129.606	C1	C3	C2	59.300
C1	C3	H7	116.918	C1	C3	H9	118.816
C1	C4	C2	59.300	C1	C4	H8	116.918
C1	C4	H10	118.816	C2	C1	C3	60.350
C2	C1	C4	60.350	C2	C1	H5	129.606
C2	C3	H7	116.918	C2	C3	H9	118.816
C2	C4	H8	116.918	C2	C4	H10	118.816
C3	C1	C4	98.252	C3	C1	H5	130.197
C3	C2	C4	98.252	C3	C2	H6	130.197
C4	C1	H5	130.197	C4	C2	H6	130.197
H7	C3	H9	114.921	H8	C4	H10	114.921

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

using model chemistry: M06-2X/6-311G**

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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Number	Element	Mulliken
1	C	-0.185
2	C	-0.185
3	C	-0.241
4	C	-0.241
5	H	0.142
6	H	0.142
7	H	0.146
8	H	0.146
9	H	0.138
10	H	0.138

<r²>	62.228
(<r²>)^1/2	7.888

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

using model chemistry: M06-2X/6-311G**

States and conformations

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