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	hartrees
Energy at 0K	-155.594003
Energy at 298.15K	-155.600312
HF Energy	-154.924619
Nuclear repulsion energy	116.657355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3308	3141	0.06
2	A₁	3226	3063	18.22
3	A₁	3112	2955	39.46
4	A₁	1538	1460	0.23
5	A₁	1299	1233	2.55
6	A₁	1115	1059	0.20
7	A₁	880	836	0.00
8	A₁	652	619	4.54
9	A₁	414	393	1.34
10	A₂	1189	1129	0.00
11	A₂	1093	1037	0.00
12	A₂	936	888	0.00
13	A₂	875	830	0.00
14	B₁	3295	3129	0.62
15	B₁	1176	1117	7.52
16	B₁	1148	1090	21.27
17	B₁	1003	952	3.45
18	B₁	758	720	76.05
19	B₂	3229	3066	5.66
20	B₂	3121	2963	34.39
21	B₂	1502	1427	0.00
22	B₂	1329	1262	0.02
23	B₂	1122	1065	0.48
24	B₂	956	907	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.750	0.000	-0.314
C2	-0.750	0.000	-0.314
C3	0.000	1.131	0.313
C4	0.000	-1.131	0.313
H5	1.401	0.000	-1.168
H6	-1.401	0.000	-1.168
H7	0.000	2.074	-0.218
H8	0.000	-2.074	-0.218
H9	0.000	1.212	1.396
H10	0.000	-1.212	1.396

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5003	1.4946	1.4946	1.0739	2.3147	2.2079	2.2079	2.2263	2.2263
C2	1.5003		1.4946	1.4946	2.3147	1.0739	2.2079	2.2079	2.2263	2.2263
C3	1.4946	1.4946		2.2611	2.3312	2.3312	1.0824	3.2484	1.0866	2.5808
C4	1.4946	1.4946	2.2611		2.3312	2.3312	3.2484	1.0824	2.5808	1.0866
H5	1.0739	2.3147	2.3312	2.3312		2.8025	2.6777	2.6777	3.1635	3.1635
H6	2.3147	1.0739	2.3312	2.3312	2.8025		2.6777	2.6777	3.1635	3.1635
H7	2.2079	2.2079	1.0824	3.2484	2.6777	2.6777		4.1486	1.8296	3.6609
H8	2.2079	2.2079	3.2484	1.0824	2.6777	2.6777	4.1486		3.6609	1.8296
H9	2.2263	2.2263	1.0866	2.5808	3.1635	3.1635	1.8296	3.6609		2.4236
H10	2.2263	2.2263	2.5808	1.0866	3.1635	3.1635	3.6609	1.8296	2.4236

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.874	C1	C2	C4	59.874
C1	C2	H6	127.325	C1	C3	C2	60.252
C1	C3	H7	117.009	C1	C3	H9	118.346
C1	C4	C2	60.252	C1	C4	H8	117.009
C1	C4	H10	118.346	C2	C1	C3	59.874
C2	C1	C4	59.874	C2	C1	H5	127.325
C2	C3	H7	117.009	C2	C3	H9	118.346
C2	C4	H8	117.009	C2	C4	H10	118.346
C3	C1	C4	98.301	C3	C1	H5	129.631
C3	C2	C4	98.301	C3	C2	H6	129.631
C4	C1	H5	129.631	C4	C2	H6	129.631
H7	C3	H9	115.034	H8	C4	H10	115.034

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

using model chemistry: MP2/cc-pVTZ

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

using model chemistry: MP2/cc-pVTZ

States and conformations

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