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	hartrees
Energy at 0K	-155.657706
Energy at 298.15K	-155.664070
HF Energy	-154.925315
Nuclear repulsion energy	117.144942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3322	3154	0.03
2	A₁	3230	3067	16.63
3	A₁	3128	2970	40.77
4	A₁	1551	1473	0.28
5	A₁	1318	1251	2.56
6	A₁	1126	1069	0.15
7	A₁	896	851	0.01
8	A₁	686	651	6.16
9	A₁	430	409	1.29
10	A₂	1195	1135	0.00
11	A₂	1103	1047	0.00
12	A₂	944	896	0.00
13	A₂	878	833	0.00
14	B₁	3310	3143	0.56
15	B₁	1183	1123	6.53
16	B₁	1157	1099	23.74
17	B₁	1017	966	3.28
18	B₁	770	731	71.19
19	B₂	3233	3069	6.48
20	B₂	3136	2977	32.48
21	B₂	1513	1437	0.00
22	B₂	1338	1270	0.02
23	B₂	1127	1070	0.73
24	B₂	965	916	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.738	0.000	-0.323
C2	-0.738	0.000	-0.323
C3	0.000	1.124	0.315
C4	0.000	-1.124	0.315
H5	1.436	0.000	-1.135
H6	-1.436	0.000	-1.135
H7	0.000	2.066	-0.211
H8	0.000	-2.066	-0.211
H9	0.000	1.210	1.394
H10	0.000	-1.210	1.394

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4769	1.4886	1.4886	1.0699	2.3207	2.1969	2.1969	2.2266	2.2266
C2	1.4769		1.4886	1.4886	2.3207	1.0699	2.1969	2.1969	2.2266	2.2266
C3	1.4886	1.4886		2.2481	2.3294	2.3294	1.0791	3.2333	1.0827	2.5711
C4	1.4886	1.4886	2.2481		2.3294	2.3294	3.2333	1.0791	2.5711	1.0827
H5	1.0699	2.3207	2.3294	2.3294		2.8715	2.6799	2.6799	3.1495	3.1495
H6	2.3207	1.0699	2.3294	2.3294	2.8715		2.6799	2.6799	3.1495	3.1495
H7	2.1969	2.1969	1.0791	3.2333	2.6799	2.6799		4.1321	1.8198	3.6480
H8	2.1969	2.1969	3.2333	1.0791	2.6799	2.6799	4.1321		3.6480	1.8198
H9	2.2266	2.2266	1.0827	2.5711	3.1495	3.1495	1.8198	3.6480		2.4192
H10	2.2266	2.2266	2.5711	1.0827	3.1495	3.1495	3.6480	1.8198	2.4192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.259	C1	C2	C4	60.259
C1	C2	H6	130.671	C1	C3	C2	59.482
C1	C3	H7	116.748	C1	C3	H9	119.140
C1	C4	C2	59.482	C1	C4	H8	116.748
C1	C4	H10	119.140	C2	C1	C3	60.259
C2	C1	C4	60.259	C2	C1	H5	130.671
C2	C3	H7	116.748	C2	C3	H9	119.140
C2	C4	H8	116.748	C2	C4	H10	119.140
C3	C1	C4	98.069	C3	C1	H5	130.421
C3	C2	C4	98.069	C3	C2	H6	130.421
C4	C1	H5	130.421	C4	C2	H6	130.421
H7	C3	H9	114.666	H8	C4	H10	114.666

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

using model chemistry: MP2=FULL/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=FULL/cc-pVTZ

States and conformations

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