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	hartrees
Energy at 0K	-155.492028
Energy at 298.15K	-155.498337
HF Energy	-154.886676
Nuclear repulsion energy	115.395901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3288	3172	1.37
2	A₁	3201	3087	24.08
3	A₁	3091	2981	47.44
4	A₁	1535	1480	0.00
5	A₁	1302	1256	2.44
6	A₁	1109	1070	0.15
7	A₁	872	842	0.00
8	A₁	674	650	5.72
9	A₁	419	404	1.13
10	A₂	1185	1143	0.00
11	A₂	1085	1046	0.00
12	A₂	925	892	0.00
13	A₂	870	839	0.00
14	B₁	3274	3158	2.05
15	B₁	1174	1132	11.48
16	B₁	1135	1094	9.29
17	B₁	999	964	3.92
18	B₁	755	728	70.22
19	B₂	3202	3089	11.08
20	B₂	3096	2986	39.89
21	B₂	1495	1442	0.09
22	B₂	1331	1284	0.32
23	B₂	1103	1064	0.53
24	B₂	940	906	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.754	0.000	-0.322
C2	-0.754	0.000	-0.322
C3	0.000	1.142	0.318
C4	0.000	-1.142	0.318
H5	1.440	0.000	-1.166
H6	-1.440	0.000	-1.166
H7	0.000	2.098	-0.219
H8	0.000	-2.098	-0.219
H9	0.000	1.231	1.414
H10	0.000	-1.231	1.414

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5084	1.5108	1.5108	1.0873	2.3506	2.2317	2.2317	2.2579	2.2579
C2	1.5084		1.5108	1.5108	2.3506	1.0873	2.2317	2.2317	2.2579	2.2579
C3	1.5108	1.5108		2.2840	2.3620	2.3620	1.0961	3.2840	1.1000	2.6137
C4	1.5108	1.5108	2.2840		2.3620	2.3620	3.2840	1.0961	2.6137	1.1000
H5	1.0873	2.3506	2.3620	2.3620		2.8794	2.7150	2.7150	3.2008	3.2008
H6	2.3506	1.0873	2.3620	2.3620	2.8794		2.7150	2.7150	3.2008	3.2008
H7	2.2317	2.2317	1.0961	3.2840	2.7150	2.7150		4.1957	1.8488	3.7074
H8	2.2317	2.2317	3.2840	1.0961	2.7150	2.7150	4.1957		3.7074	1.8488
H9	2.2579	2.2579	1.1000	2.6137	3.2008	3.2008	1.8488	3.7074		2.4612
H10	2.2579	2.2579	2.6137	1.1000	3.2008	3.2008	3.7074	1.8488	2.4612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.054	C1	C2	C4	60.054
C1	C2	H6	129.085	C1	C3	C2	59.893
C1	C3	H7	116.864	C1	C3	H9	118.887
C1	C4	C2	59.893	C1	C4	H8	116.864
C1	C4	H10	118.887	C2	C1	C3	60.054
C2	C1	C4	60.054	C2	C1	H5	129.085
C2	C3	H7	116.864	C2	C3	H9	118.887
C2	C4	H8	116.864	C2	C4	H10	118.887
C3	C1	C4	98.208	C3	C1	H5	130.055
C3	C2	C4	98.208	C3	C2	H6	130.055
C4	C1	H5	130.055	C4	C2	H6	130.055
H7	C3	H9	114.683	H8	C4	H10	114.683

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

using model chemistry: CCD/aug-cc-pVDZ

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: CCD/aug-cc-pVDZ

States and conformations

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