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	hartrees
Energy at 0K	-155.911297
Energy at 298.15K	-155.917651
HF Energy	-155.911297
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3294	3294	1.64
2	A₁	3201	3201	20.48
3	A₁	3088	3088	51.27
4	A₁	1545	1545	0.10
5	A₁	1305	1305	1.73
6	A₁	1121	1121	0.01
7	A₁	893	893	0.67
8	A₁	718	718	7.48
9	A₁	442	442	0.98
10	A₂	1191	1191	0.00
11	A₂	1079	1079	0.00
12	A₂	939	939	0.00
13	A₂	862	862	0.00
14	B₁	3281	3281	5.79
15	B₁	1185	1185	14.08
16	B₁	1131	1131	8.57
17	B₁	1020	1020	3.03
18	B₁	765	765	62.77
19	B₂	3202	3202	13.72
20	B₂	3093	3093	43.72
21	B₂	1504	1504	0.05
22	B₂	1332	1332	0.10
23	B₂	1111	1111	0.87
24	B₂	960	960	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.740	0.000	-0.324
C2	-0.740	0.000	-0.324
C3	0.000	1.132	0.316
C4	0.000	-1.132	0.316
H5	1.440	0.000	-1.143
H6	-1.440	0.000	-1.143
H7	0.000	2.080	-0.215
H8	0.000	-2.080	-0.215
H9	0.000	1.226	1.404
H10	0.000	-1.226	1.404

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4807	1.4962	1.4962	1.0772	2.3290	2.2107	2.2107	2.2440	2.2440
C2	1.4807		1.4962	1.4962	2.3290	1.0772	2.2107	2.2107	2.2440	2.2440
C3	1.4962	1.4962		2.2638	2.3416	2.3416	1.0871	3.2558	1.0918	2.5968
C4	1.4962	1.4962	2.2638		2.3416	2.3416	3.2558	1.0871	2.5968	1.0918
H5	1.0772	2.3290	2.3416	2.3416		2.8796	2.6946	2.6946	3.1721	3.1721
H6	2.3290	1.0772	2.3416	2.3416	2.8796		2.6946	2.6946	3.1721	3.1721
H7	2.2107	2.2107	1.0871	3.2558	2.6946	2.6946		4.1605	1.8305	3.6815
H8	2.2107	2.2107	3.2558	1.0871	2.6946	2.6946	4.1605		3.6815	1.8305
H9	2.2440	2.2440	1.0918	2.5968	3.1721	3.1721	1.8305	3.6815		2.4524
H10	2.2440	2.2440	2.5968	1.0918	3.1721	3.1721	3.6815	1.8305	2.4524

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.343	C1	C2	C4	60.343
C1	C2	H6	130.491	C1	C3	C2	59.315
C1	C3	H7	116.808	C1	C3	H9	119.428
C1	C4	C2	59.315	C1	C4	H8	116.808
C1	C4	H10	119.428	C2	C1	C3	60.343
C2	C1	C4	60.343	C2	C1	H5	130.491
C2	C3	H7	116.808	C2	C3	H9	119.428
C2	C4	H8	116.808	C2	C4	H10	119.428
C3	C1	C4	98.317	C3	C1	H5	130.277
C3	C2	C4	98.317	C3	C2	H6	130.277
C4	C1	H5	130.277	C4	C2	H6	130.277
H7	C3	H9	114.306	H8	C4	H10	114.306

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

using model chemistry: wB97X-D/6-31G(2df,p)

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	-0.101
2	C	-0.101
3	C	-0.292
4	C	-0.292
5	H	0.141
6	H	0.141
7	H	0.132
8	H	0.132
9	H	0.121
10	H	0.121

<r²>	62.112
(<r²>)^1/2	7.881

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

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

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