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	hartrees
Energy at 0K	-154.935920
Energy at 298.15K	-154.942485
HF Energy	-154.935920
Nuclear repulsion energy	117.493586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3396	3085	2.46
2	A₁	3296	2994	31.03
3	A₁	3202	2909	62.58
4	A₁	1658	1506	0.01
5	A₁	1396	1268	2.33
6	A₁	1196	1086	0.28
7	A₁	944	857	0.00
8	A₁	789	717	7.43
9	A₁	471	428	0.93
10	A₂	1291	1173	0.00
11	A₂	1188	1080	0.00
12	A₂	995	904	0.00
13	A₂	920	835	0.00
14	B₁	3381	3072	4.20
15	B₁	1282	1165	15.67
16	B₁	1234	1121	4.55
17	B₁	1122	1019	7.14
18	B₁	805	731	78.64
19	B₂	3297	2995	19.21
20	B₂	3204	2911	53.65
21	B₂	1619	1471	0.07
22	B₂	1424	1294	0.80
23	B₂	1177	1070	1.07
24	B₂	1023	930	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.732	0.000	-0.323
C2	-0.732	0.000	-0.323
C3	0.000	1.125	0.315
C4	0.000	-1.125	0.315
H5	1.433	0.000	-1.128
H6	-1.433	0.000	-1.128
H7	0.000	2.065	-0.209
H8	0.000	-2.065	-0.209
H9	0.000	1.220	1.390
H10	0.000	-1.220	1.390

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4645	1.4861	1.4861	1.0667	2.3095	2.1936	2.1936	2.2271	2.2271
C2	1.4645		1.4861	1.4861	2.3095	1.0667	2.1936	2.1936	2.2271	2.2271
C3	1.4861	1.4861		2.2497	2.3235	2.3235	1.0758	3.2321	1.0796	2.5796
C4	1.4861	1.4861	2.2497		2.3235	2.3235	3.2321	1.0758	2.5796	1.0796
H5	1.0667	2.3095	2.3235	2.3235		2.8651	2.6756	2.6756	3.1434	3.1434
H6	2.3095	1.0667	2.3235	2.3235	2.8651		2.6756	2.6756	3.1434	3.1434
H7	2.1936	2.1936	1.0758	3.2321	2.6756	2.6756		4.1291	1.8085	3.6531
H8	2.1936	2.1936	3.2321	1.0758	2.6756	2.6756	4.1291		3.6531	1.8085
H9	2.2271	2.2271	1.0796	2.5796	3.1434	3.1434	1.8085	3.6531		2.4398
H10	2.2271	2.2271	2.5796	1.0796	3.1434	3.1434	3.6531	1.8085	2.4398

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.480	C1	C2	C4	60.480
C1	C2	H6	131.034	C1	C3	C2	59.041
C1	C3	H7	116.882	C1	C3	H9	119.624
C1	C4	C2	59.041	C1	C4	H8	116.882
C1	C4	H10	119.624	C2	C1	C3	60.480
C2	C1	C4	60.480	C2	C1	H5	131.034
C2	C3	H7	116.882	C2	C3	H9	119.624
C2	C4	H8	116.882	C2	C4	H10	119.624
C3	C1	C4	98.385	C3	C1	H5	130.340
C3	C2	C4	98.385	C3	C2	H6	130.340
C4	C1	H5	130.340	C4	C2	H6	130.340
H7	C3	H9	114.080	H8	C4	H10	114.080

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

using model chemistry: HF/aug-cc-pVQZ

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	-0.516
2	C	-0.516
3	C	-0.628
4	C	-0.628
5	H	0.450
6	H	0.450
7	H	0.376
8	H	0.376
9	H	0.318
10	H	0.318

<r²>	61.841
(<r²>)^1/2	7.864

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

using model chemistry: HF/aug-cc-pVQZ

States and conformations

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