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	hartrees
Energy at 0K	-153.895488
Energy at 298.15K	-153.901833
HF Energy	-153.895488
Nuclear repulsion energy	115.343236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3574	3156	5.06
2	A₁	3559	3143	5.63
3	A₁	3403	3005	0.41
4	A₁	1692	1494	0.02
5	A₁	1439	1271	0.03
6	A₁	1194	1055	0.09
7	A₁	1024	905	6.96
8	A₁	830	733	5.79
9	A₁	489	431	1.34
10	A₂	1284	1134	0.00
11	A₂	1210	1069	0.00
12	A₂	1019	900	0.00
13	A₂	961	849	0.00
14	B₁	3545	3131	19.95
15	B₁	1325	1170	19.14
16	B₁	1235	1091	0.19
17	B₁	1094	966	0.07
18	B₁	886	783	25.02
19	B₂	3560	3144	1.25
20	B₂	3408	3009	0.00
21	B₂	1644	1451	0.83
22	B₂	1468	1296	0.09
23	B₂	1161	1025	0.13
24	B₂	1010	892	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.748	0.000	-0.349
C2	-0.748	0.000	-0.349
C3	0.000	1.129	0.330
C4	0.000	-1.129	0.330
H5	1.509	0.000	-1.129
H6	-1.509	0.000	-1.129
H7	0.000	2.097	-0.184
H8	0.000	-2.097	-0.184
H9	0.000	1.203	1.426
H10	0.000	-1.203	1.426

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4966	1.5154	1.5154	1.0895	2.3882	2.2324	2.2324	2.2712	2.2712
C2	1.4966		1.5154	1.5154	2.3882	1.0895	2.2324	2.2324	2.2712	2.2712
C3	1.5154	1.5154		2.2588	2.3835	2.3835	1.0957	3.2670	1.0986	2.5773
C4	1.5154	1.5154	2.2588		2.3835	2.3835	3.2670	1.0957	2.5773	1.0986
H5	1.0895	2.3882	2.3835	2.3835		3.0176	2.7506	2.7506	3.2020	3.2020
H6	2.3882	1.0895	2.3835	2.3835	3.0176		2.7506	2.7506	3.2020	3.2020
H7	2.2324	2.2324	1.0957	3.2670	2.7506	2.7506		4.1937	1.8417	3.6721
H8	2.2324	2.2324	3.2670	1.0957	2.7506	2.7506	4.1937		3.6721	1.8417
H9	2.2712	2.2712	1.0986	2.5773	3.2020	3.2020	1.8417	3.6721		2.4065
H10	2.2712	2.2712	2.5773	1.0986	3.2020	3.2020	3.6721	1.8417	2.4065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.409	C1	C2	C4	60.409
C1	C2	H6	134.268	C1	C3	C2	59.182
C1	C3	H7	116.601	C1	C3	H9	119.806
C1	C4	C2	59.182	C1	C4	H8	116.601
C1	C4	H10	119.806	C2	C1	C3	60.409
C2	C1	C4	60.409	C2	C1	H5	134.268
C2	C3	H7	116.601	C2	C3	H9	119.806
C2	C4	H8	116.601	C2	C4	H10	119.806
C3	C1	C4	96.369	C3	C1	H5	131.719
C3	C2	C4	96.369	C3	C2	H6	131.719
C4	C1	H5	131.719	C4	C2	H6	131.719
H7	C3	H9	114.143	H8	C4	H10	114.143

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

using model chemistry: HSEh1PBE/STO-3G

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	-0.113
2	C	-0.113
3	C	-0.149
4	C	-0.149
5	H	0.097
6	H	0.097
7	H	0.085
8	H	0.085
9	H	0.080
10	H	0.080

<r²>	62.267
(<r²>)^1/2	7.891

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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