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	hartrees
Energy at 0K	-155.489501
Energy at 298.15K	-155.495800
HF Energy	-154.906724
Nuclear repulsion energy	116.189023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3300	3136	0.67
2	A₁	3219	3059	24.91
3	A₁	3109	2954	43.19
4	A₁	1548	1471	0.18
5	A₁	1305	1240	2.72
6	A₁	1120	1064	0.03
7	A₁	873	830	0.04
8	A₁	638	607	4.31
9	A₁	407	386	1.52
10	A₂	1199	1139	0.00
11	A₂	1102	1047	0.00
12	A₂	942	895	0.00
13	A₂	878	834	0.00
14	B₁	3287	3123	1.36
15	B₁	1182	1123	13.78
16	B₁	1160	1102	13.81
17	B₁	1003	953	3.57
18	B₁	762	724	78.94
19	B₂	3222	3062	7.49
20	B₂	3115	2960	36.89
21	B₂	1510	1435	0.06
22	B₂	1339	1273	0.00
23	B₂	1131	1074	0.33
24	B₂	961	913	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.755	0.000	-0.312
C2	-0.755	0.000	-0.312
C3	0.000	1.135	0.312
C4	0.000	-1.135	0.312
H5	1.404	0.000	-1.173
H6	-1.404	0.000	-1.173
H7	0.000	2.080	-0.227
H8	0.000	-2.080	-0.227
H9	0.000	1.228	1.400
H10	0.000	-1.228	1.400

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5096	1.4992	1.4992	1.0789	2.3247	2.2146	2.2146	2.2379	2.2379
C2	1.5096		1.4992	1.4992	2.3247	1.0789	2.2146	2.2146	2.2379	2.2379
C3	1.4992	1.4992		2.2703	2.3382	2.3382	1.0880	3.2603	1.0916	2.6019
C4	1.4992	1.4992	2.2703		2.3382	2.3382	3.2603	1.0880	2.6019	1.0916
H5	1.0789	2.3247	2.3382	2.3382		2.8089	2.6824	2.6824	3.1783	3.1783
H6	2.3247	1.0789	2.3382	2.3382	2.8089		2.6824	2.6824	3.1783	3.1783
H7	2.2146	2.2146	1.0880	3.2603	2.6824	2.6824		4.1606	1.8362	3.6870
H8	2.2146	2.2146	3.2603	1.0880	2.6824	2.6824	4.1606		3.6870	1.8362
H9	2.2379	2.2379	1.0916	2.6019	3.1783	3.1783	1.8362	3.6870		2.4570
H10	2.2379	2.2379	2.6019	1.0916	3.1783	3.1783	3.6870	1.8362	2.4570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.770	C1	C2	C4	59.770
C1	C2	H6	127.025	C1	C3	C2	60.460
C1	C3	H7	116.843	C1	C3	H9	118.646
C1	C4	C2	60.460	C1	C4	H8	116.843
C1	C4	H10	118.646	C2	C1	C3	59.770
C2	C1	C4	59.770	C2	C1	H5	127.025
C2	C3	H7	116.843	C2	C3	H9	118.646
C2	C4	H8	116.843	C2	C4	H10	118.646
C3	C1	C4	98.431	C3	C1	H5	129.453
C3	C2	C4	98.431	C3	C2	H6	129.453
C4	C1	H5	129.453	C4	C2	H6	129.453
H7	C3	H9	114.792	H8	C4	H10	114.792

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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