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	hartrees
Energy at 0K	-155.909881
Energy at 298.15K	-155.916235
HF Energy	-155.909881
Nuclear repulsion energy	117.007781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3275	3145	2.13
2	A₁	3191	3064	24.58
3	A₁	3078	2955	59.95
4	A₁	1537	1476	0.37
5	A₁	1326	1273	2.43
6	A₁	1115	1071	0.00
7	A₁	909	873	0.58
8	A₁	702	674	7.70
9	A₁	431	414	1.18
10	A₂	1179	1132	0.00
11	A₂	1080	1037	0.00
12	A₂	939	901	0.00
13	A₂	873	838	0.00
14	B₁	3261	3131	4.90
15	B₁	1182	1135	11.06
16	B₁	1134	1089	16.60
17	B₁	1006	966	3.95
18	B₁	779	747	71.90
19	B₂	3193	3066	14.75
20	B₂	3083	2960	44.44
21	B₂	1491	1431	0.00
22	B₂	1337	1284	0.01
23	B₂	1109	1065	0.85
24	B₂	950	912	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.739	0.000	-0.323
C2	-0.739	0.000	-0.323
C3	0.000	1.124	0.315
C4	0.000	-1.124	0.315
H5	1.432	0.000	-1.147
H6	-1.432	0.000	-1.147
H7	0.000	2.075	-0.207
H8	0.000	-2.075	-0.207
H9	0.000	1.206	1.402
H10	0.000	-1.206	1.402

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4784	1.4897	1.4897	1.0759	2.3220	2.2056	2.2056	2.2307	2.2307
C2	1.4784		1.4897	1.4897	2.3220	1.0759	2.2056	2.2056	2.2307	2.2307
C3	1.4897	1.4897		2.2490	2.3351	2.3351	1.0843	3.2416	1.0893	2.5708
C4	1.4897	1.4897	2.2490		2.3351	2.3351	3.2416	1.0843	2.5708	1.0893
H5	1.0759	2.3220	2.3351	2.3351		2.8640	2.6905	2.6905	3.1620	3.1620
H6	2.3220	1.0759	2.3351	2.3351	2.8640		2.6905	2.6905	3.1620	3.1620
H7	2.2056	2.2056	1.0843	3.2416	2.6905	2.6905		4.1496	1.8283	3.6535
H8	2.2056	2.2056	3.2416	1.0843	2.6905	2.6905	4.1496		3.6535	1.8283
H9	2.2307	2.2307	1.0893	2.5708	3.1620	3.1620	1.8283	3.6535		2.4112
H10	2.2307	2.2307	2.5708	1.0893	3.1620	3.1620	3.6535	1.8283	2.4112

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.249	C1	C2	C4	60.249
C1	C2	H6	130.084	C1	C3	C2	59.501
C1	C3	H7	117.065	C1	C3	H9	118.941
C1	C4	C2	59.501	C1	C4	H8	117.065
C1	C4	H10	118.941	C2	C1	C3	60.249
C2	C1	C4	60.249	C2	C1	H5	130.084
C2	C3	H7	117.065	C2	C3	H9	118.941
C2	C4	H8	117.065	C2	C4	H10	118.941
C3	C1	C4	98.024	C3	C1	H5	130.367
C3	C2	C4	98.024	C3	C2	H6	130.367
C4	C1	H5	130.367	C4	C2	H6	130.367
H7	C3	H9	114.519	H8	C4	H10	114.519

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

using model chemistry: B1B95/6-311G**

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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Number	Element	Mulliken
1	C	-0.173
2	C	-0.173
3	C	-0.201
4	C	-0.201
5	H	0.123
6	H	0.123
7	H	0.129
8	H	0.129
9	H	0.122
10	H	0.122

<r²>	61.941
(<r²>)^1/2	7.870

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

using model chemistry: B1B95/6-311G**

States and conformations

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