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	hartrees
Energy at 0K	-26.070566
Energy at 298.15K	-26.076827
HF Energy	-26.070566
Nuclear repulsion energy	61.415676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3229	3146	9.11
2	A₁	3150	3070	45.24
3	A₁	3036	2959	67.85
4	A₁	1527	1488	0.90
5	A₁	1268	1236	2.35
6	A₁	1091	1063	0.18
7	A₁	807	786	0.98
8	A₁	683	665	9.40
9	A₁	412	401	2.57
10	A₂	1172	1142	0.00
11	A₂	1110	1081	0.00
12	A₂	924	901	0.00
13	A₂	822	801	0.00
14	B₁	3210	3128	6.89
15	B₁	1164	1134	28.09
16	B₁	1147	1118	0.88
17	B₁	1003	977	2.66
18	B₁	725	706	79.73
19	B₂	3151	3071	21.55
20	B₂	3038	2960	59.87
21	B₂	1500	1462	0.02
22	B₂	1288	1255	0.88
23	B₂	1084	1057	1.43
24	B₂	945	921	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.771	0.000	-0.329
C2	-0.771	0.000	-0.329
C3	0.000	1.156	0.320
C4	0.000	-1.156	0.320
H5	1.471	0.000	-1.153
H6	-1.471	0.000	-1.153
H7	0.000	2.111	-0.205
H8	0.000	-2.111	-0.205
H9	0.000	1.245	1.411
H10	0.000	-1.245	1.411

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5418	1.5334	1.5334	1.0816	2.3889	2.2504	2.2504	2.2743	2.2743
C2	1.5418		1.5334	1.5334	2.3889	1.0816	2.2504	2.2504	2.2743	2.2743
C3	1.5334	1.5334		2.3114	2.3815	2.3815	1.0900	3.3083	1.0943	2.6372
C4	1.5334	1.5334	2.3114		2.3815	2.3815	3.3083	1.0900	2.6372	1.0943
H5	1.0816	2.3889	2.3815	2.3815		2.9427	2.7419	2.7419	3.2078	3.2078
H6	2.3889	1.0816	2.3815	2.3815	2.9427		2.7419	2.7419	3.2078	3.2078
H7	2.2504	2.2504	1.0900	3.3083	2.7419	2.7419		4.2212	1.8332	3.7249
H8	2.2504	2.2504	3.3083	1.0900	2.7419	2.7419	4.2212		3.7249	1.8332
H9	2.2743	2.2743	1.0943	2.6372	3.2078	3.2078	1.8332	3.7249		2.4909
H10	2.2743	2.2743	2.6372	1.0943	3.2078	3.2078	3.7249	1.8332	2.4909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.820	C1	C2	C4	59.820
C1	C2	H6	130.363	C1	C3	C2	60.359
C1	C3	H7	117.133	C1	C3	H9	118.935
C1	C4	C2	60.359	C1	C4	H8	117.133
C1	C4	H10	118.935	C2	C1	C3	59.820
C2	C1	C4	59.820	C2	C1	H5	130.363
C2	C3	H7	117.133	C2	C3	H9	118.935
C2	C4	H8	117.133	C2	C4	H10	118.935
C3	C1	C4	97.816	C3	C1	H5	130.406
C3	C2	C4	97.816	C3	C2	H6	130.406
C4	C1	H5	130.406	C4	C2	H6	130.406
H7	C3	H9	114.125	H8	C4	H10	114.125

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

using model chemistry: B3LYP/CEP-121G

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	0.054
2	C	0.054
3	C	-0.496
4	C	-0.496
5	H	0.172
6	H	0.172
7	H	0.136
8	H	0.136
9	H	0.134
10	H	0.134

<r²>	55.955
(<r²>)^1/2	7.480

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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