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	hartrees
Energy at 0K	-154.935616
Energy at 298.15K	-154.942181
HF Energy	-154.935616
Nuclear repulsion energy	117.496464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3396	3085	2.49
2	A₁	3296	2994	31.17
3	A₁	3202	2909	62.86
4	A₁	1658	1506	0.01
5	A₁	1396	1268	2.26
6	A₁	1196	1086	0.26
7	A₁	944	858	0.01
8	A₁	790	717	7.35
9	A₁	472	429	0.93
10	A₂	1291	1173	0.00
11	A₂	1189	1080	0.00
12	A₂	995	904	0.00
13	A₂	920	836	0.00
14	B₁	3381	3071	4.61
15	B₁	1283	1165	15.78
16	B₁	1234	1121	4.58
17	B₁	1122	1020	7.07
18	B₁	805	731	78.86
19	B₂	3297	2995	19.61
20	B₂	3204	2910	54.04
21	B₂	1619	1471	0.08
22	B₂	1424	1294	0.77
23	B₂	1177	1069	1.11
24	B₂	1023	929	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.732	0.000	-0.324
C2	-0.732	0.000	-0.324
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		1.4644	1.4861	1.4861	1.0667	2.3094	2.1935	2.1935	2.2272	2.2272
C2	1.4644		1.4861	1.4861	2.3094	1.0667	2.1935	2.1935	2.2272	2.2272
C3	1.4861	1.4861		2.2495	2.3235	2.3235	1.0758	3.2320	1.0796	2.5795
C4	1.4861	1.4861	2.2495		2.3235	2.3235	3.2320	1.0758	2.5795	1.0796
H5	1.0667	2.3094	2.3235	2.3235		2.8651	2.6757	2.6757	3.1434	3.1434
H6	2.3094	1.0667	2.3235	2.3235	2.8651		2.6757	2.6757	3.1434	3.1434
H7	2.1935	2.1935	1.0758	3.2320	2.6757	2.6757		4.1291	1.8084	3.6529
H8	2.1935	2.1935	3.2320	1.0758	2.6757	2.6757	4.1291		3.6529	1.8084
H9	2.2272	2.2272	1.0796	2.5795	3.1434	3.1434	1.8084	3.6529		2.4396
H10	2.2272	2.2272	2.5795	1.0796	3.1434	3.1434	3.6529	1.8084	2.4396

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.482	C1	C2	C4	60.482
C1	C2	H6	131.042	C1	C3	C2	59.035
C1	C3	H7	116.882	C1	C3	H9	119.629
C1	C4	C2	59.035	C1	C4	H8	116.882
C1	C4	H10	119.629	C2	C1	C3	60.482
C2	C1	C4	60.482	C2	C1	H5	131.042
C2	C3	H7	116.882	C2	C3	H9	119.629
C2	C4	H8	116.882	C2	C4	H10	119.629
C3	C1	C4	98.378	C3	C1	H5	130.345
C3	C2	C4	98.378	C3	C2	H6	130.345
C4	C1	H5	130.345	C4	C2	H6	130.345
H7	C3	H9	114.075	H8	C4	H10	114.075

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

using model chemistry: HF/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	-0.185
2	C	-0.185
3	C	-0.175
4	C	-0.175
5	H	0.151
6	H	0.151
7	H	0.126
8	H	0.126
9	H	0.083
10	H	0.083

<r²>	61.830
(<r²>)^1/2	7.863

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

using model chemistry: HF/cc-pVQZ

States and conformations

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