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	hartrees
Energy at 0K	-194.655235
Energy at 298.15K	-194.663995
HF Energy	-193.931289
Nuclear repulsion energy	171.042044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3222	3010	0.00
2	A₁	1557	1455	0.00
3	A₁	1133	1059	0.00
4	A₁	1098	1026	0.00
5	A₁	629	588	0.00
6	A₂	3313	3095	0.00
7	A₂	1212	1133	0.00
8	A₂	867	810	0.00
9	B₁	3312	3095	0.00
10	B₁	1221	1141	0.00
11	B₁	1062	992	0.00
12	B₁	303	283	0.00
13	B₂	3223	3012	26.71
14	B₂	1656	1547	3.06
15	B₂	1492	1394	0.13
16	B₂	1063	993	9.58
17	B₂	949	887	17.91
18	E	3323	3105	17.33
18	E	3323	3105	17.33
19	E	3218	3007	16.77
19	E	3218	3007	16.77
20	E	1522	1422	0.16
20	E	1522	1422	0.16
21	E	1228	1148	1.80
21	E	1228	1148	1.80
22	E	1111	1038	1.79
22	E	1111	1038	1.79
23	E	933	871	4.82
23	E	933	871	4.82
24	E	814	761	0.13
24	E	814	761	0.13
25	E	314	294	0.27
25	E	314	294	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.761	1.265
C3	0.000	-0.761	1.265
C4	-0.761	0.000	-1.265
C5	0.761	0.000	-1.265
H6	0.911	1.261	1.565
H7	-0.911	1.261	1.565
H8	-0.911	-1.261	1.565
H9	0.911	-1.261	1.565
H10	-1.261	-0.911	-1.565
H11	-1.261	0.911	-1.565
H12	1.261	0.911	-1.565
H13	1.261	-0.911	-1.565

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4766	1.4766	1.4766	1.4766	2.2062	2.2062	2.2062	2.2062	2.2062	2.2062	2.2062	2.2062
C2	1.4766		1.5229	2.7499	2.7499	1.0809	1.0809	2.2378	2.2378	3.5206	3.1017	3.1017	3.5206
C3	1.4766	1.5229		2.7499	2.7499	2.2378	2.2378	1.0809	1.0809	3.1017	3.5206	3.5206	3.1017
C4	1.4766	2.7499	2.7499		1.5229	3.5206	3.1017	3.1017	3.5206	1.0809	1.0809	2.2378	2.2378
C5	1.4766	2.7499	2.7499	1.5229		3.1017	3.5206	3.5206	3.1017	2.2378	2.2378	1.0809	1.0809
H6	2.2062	1.0809	2.2378	3.5206	3.1017		1.8214	3.1102	2.5211	4.3846	3.8253	3.1688	3.8253
H7	2.2062	1.0809	2.2378	3.1017	3.5206	1.8214		2.5211	3.1102	3.8253	3.1688	3.8253	4.3846
H8	2.2062	2.2378	1.0809	3.1017	3.5206	3.1102	2.5211		1.8214	3.1688	3.8253	4.3846	3.8253
H9	2.2062	2.2378	1.0809	3.5206	3.1017	2.5211	3.1102	1.8214		3.8253	4.3846	3.8253	3.1688
H10	2.2062	3.5206	3.1017	1.0809	2.2378	4.3846	3.8253	3.1688	3.8253		1.8214	3.1102	2.5211
H11	2.2062	3.1017	3.5206	1.0809	2.2378	3.8253	3.1688	3.8253	4.3846	1.8214		2.5211	3.1102
H12	2.2062	3.1017	3.5206	2.2378	1.0809	3.1688	3.8253	4.3846	3.8253	3.1102	2.5211		1.8214
H13	2.2062	3.5206	3.1017	2.2378	1.0809	3.8253	4.3846	3.8253	3.1688	2.5211	3.1102	1.8214

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	58.958	C1	C2	H6	118.410
C1	C2	H7	118.410	C1	C3	C2	58.958
C1	C3	H8	118.410	C1	C3	H9	118.410
C1	C4	C5	58.958	C1	C4	H10	118.410
C1	C4	H11	118.410	C1	C5	C4	58.958
C1	C5	H12	118.410	C1	C5	H13	118.410
C2	C1	C3	62.085	C2	C1	C4	137.230
C2	C1	C5	137.230	C2	C3	H8	117.500
C2	C3	H9	117.500	C3	C1	C4	137.230
C3	C1	C5	137.230	C3	C2	H6	117.500
C3	C2	H7	117.500	C4	C1	C5	62.085
C4	C5	H12	117.500	C4	C5	H13	117.500
C5	C4	H10	117.500	C5	C4	H11	117.500
H6	C2	H7	114.814	H8	C3	H9	114.814
H10	C4	H11	114.814	H12	C5	H13	114.814

All results from a given calculation for C₅H₈ (Spiropentane)

using model chemistry: MP2=FULL/6-31G**

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 C5H8 (Spiropentane)

using model chemistry: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₅H₈ (Spiropentane)