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	hartrees
Energy at 0K	-156.154673
Energy at 298.15K	-156.164003
HF Energy	-156.154673
Nuclear repulsion energy	127.726404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3213	2913	0.00
2	A₁	3187	2889	0.00
3	A₁	1648	1493	0.00
4	A₁	1281	1161	0.00
5	A₁	1072	972	0.00
6	A₁	207	188	0.00
7	A₂	1376	1248	0.00
8	A₂	1031	934	0.00
9	B₁	1373	1244	0.00
10	B₁	1274	1155	0.00
11	B₁	1002	908	0.00
12	B₂	3246	2942	147.35
13	B₂	3177	2880	14.28
14	B₂	1606	1456	2.96
15	B₂	959	869	0.06
16	B₂	680	616	1.84
17	E	3224	2922	31.39
17	E	3224	2922	31.39
18	E	3180	2883	98.39
18	E	3180	2883	98.39
19	E	1604	1454	0.47
19	E	1604	1454	0.47
20	E	1415	1283	0.79
20	E	1415	1283	0.79
21	E	1352	1225	0.04
21	E	1352	1225	0.04
22	E	975	884	2.62
22	E	975	884	2.62
23	E	806	730	0.11
23	E	806	730	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.093	0.009
C2	0.000	-1.093	0.009
C3	-1.093	0.000	-0.009
C4	1.093	0.000	-0.009
H5	0.000	1.716	0.894
H6	0.000	1.745	-0.855
H7	0.000	-1.716	0.894
H8	0.000	-1.745	-0.855
H9	-1.716	0.000	-0.894
H10	-1.745	0.000	0.855
H11	1.716	0.000	-0.894
H12	1.745	0.000	0.855

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1867	1.5464	1.5464	1.0822	1.0818	2.9456	2.9666	2.2261	2.2260	2.2261	2.2260
C2	2.1867		1.5464	1.5464	2.9456	2.9666	1.0822	1.0818	2.2261	2.2260	2.2261	2.2260
C3	1.5464	1.5464		2.1867	2.2261	2.2260	2.2261	2.2260	1.0822	1.0818	2.9456	2.9666
C4	1.5464	1.5464	2.1867		2.2261	2.2260	2.2261	2.2260	2.9456	2.9666	1.0822	1.0818
H5	1.0822	2.9456	2.2261	2.2261		1.7491	3.4322	3.8776	3.0144	2.4476	3.0144	2.4476
H6	1.0818	2.9666	2.2260	2.2260	1.7491		3.8776	3.4894	2.4476	3.0019	2.4476	3.0019
H7	2.9456	1.0822	2.2261	2.2261	3.4322	3.8776		1.7491	3.0144	2.4476	3.0144	2.4476
H8	2.9666	1.0818	2.2260	2.2260	3.8776	3.4894	1.7491		2.4476	3.0019	2.4476	3.0019
H9	2.2261	2.2261	1.0822	2.9456	3.0144	2.4476	3.0144	2.4476		1.7491	3.4322	3.8776
H10	2.2260	2.2260	1.0818	2.9666	2.4476	3.0019	2.4476	3.0019	1.7491		3.8776	3.4894
H11	2.2261	2.2261	2.9456	1.0822	3.0144	2.4476	3.0144	2.4476	3.4322	3.8776		1.7491
H12	2.2260	2.2260	2.9666	1.0818	2.4476	3.0019	2.4476	3.0019	3.8776	3.4894	1.7491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	89.992	C1	C3	H9	114.602
C1	C3	H10	114.613	C1	C4	C2	89.992
C1	C4	H11	114.602	C1	C4	H12	114.613
C2	C3	H9	114.602	C2	C3	H10	114.613
C2	C4	H11	114.602	C2	C4	H12	114.613
C3	C1	C4	89.992	C3	C1	H5	114.602
C3	C1	H6	114.613	C3	C2	C4	89.992
C3	C2	H7	114.602	C3	C2	H8	114.613
C4	C1	H5	114.602	C4	C1	H6	114.613
C4	C2	H7	114.602	C4	C2	H8	114.613
H5	C1	H6	107.850	H7	C2	H8	107.850
H9	C3	H10	107.850	H11	C4	H12	107.850

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: HF/Def2TZVPP

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	-0.079
2	C	-0.079
3	C	-0.079
4	C	-0.079
5	H	0.040
6	H	0.038
7	H	0.040
8	H	0.038
9	H	0.040
10	H	0.038
11	H	0.040
12	H	0.038

<r²>	74.577
(<r²>)^1/2	8.636

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)