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	hartrees
Energy at 0K	-32.676720
Energy at 298.15K	-32.685308
HF Energy	-32.020965
Nuclear repulsion energy	91.509087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3155	3006	0.00
2	A₁	1522	1450	0.00
3	A₁	1087	1036	0.00
4	A₁	1060	1010	0.00
5	A₁	598	570	0.00
6	A₂	3250	3097	0.00
7	A₂	1184	1128	0.00
8	A₂	846	806	0.00
9	B₁	3249	3095	0.00
10	B₁	1194	1138	0.00
11	B₁	1036	987	0.00
12	B₁	295	281	0.00
13	B₂	3156	3007	34.37
14	B₂	1604	1528	1.83
15	B₂	1454	1385	0.05
16	B₂	1035	986	19.10
17	B₂	902	860	21.91
18	E	3262	3108	24.26
18	E	3262	3108	24.26
19	E	3150	3001	24.92
19	E	3150	3001	24.92
20	E	1486	1416	0.68
20	E	1486	1416	0.68
21	E	1195	1138	1.53
21	E	1195	1138	1.53
22	E	1069	1018	2.19
22	E	1069	1018	2.19
23	E	901	858	7.15
23	E	901	858	7.15
24	E	787	750	0.47
24	E	787	750	0.47
25	E	293	279	0.37
25	E	293	279	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.774	1.278
C3	0.000	-0.774	1.278
C4	-0.774	0.000	-1.278
C5	0.774	0.000	-1.278
H6	0.920	1.270	1.581
H7	-0.920	1.270	1.581
H8	-0.920	-1.270	1.581
H9	0.920	-1.270	1.581
H10	-1.270	-0.920	-1.581
H11	-1.270	0.920	-1.581
H12	1.270	0.920	-1.581
H13	1.270	-0.920	-1.581

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4943	1.4943	1.4943	1.4943	2.2265	2.2265	2.2265	2.2265	2.2265	2.2265	2.2265	2.2265
C2	1.4943		1.5472	2.7811	2.7811	1.0879	1.0879	2.2614	2.2614	3.5573	3.1319	3.1319	3.5573
C3	1.4943	1.5472		2.7811	2.7811	2.2614	2.2614	1.0879	1.0879	3.1319	3.5573	3.5573	3.1319
C4	1.4943	2.7811	2.7811		1.5472	3.5573	3.1319	3.1319	3.5573	1.0879	1.0879	2.2614	2.2614
C5	1.4943	2.7811	2.7811	1.5472		3.1319	3.5573	3.5573	3.1319	2.2614	2.2614	1.0879	1.0879
H6	2.2265	1.0879	2.2614	3.5573	3.1319		1.8392	3.1362	2.5403	4.4253	3.8615	3.1998	3.8615
H7	2.2265	1.0879	2.2614	3.1319	3.5573	1.8392		2.5403	3.1362	3.8615	3.1998	3.8615	4.4253
H8	2.2265	2.2614	1.0879	3.1319	3.5573	3.1362	2.5403		1.8392	3.1998	3.8615	4.4253	3.8615
H9	2.2265	2.2614	1.0879	3.5573	3.1319	2.5403	3.1362	1.8392		3.8615	4.4253	3.8615	3.1998
H10	2.2265	3.5573	3.1319	1.0879	2.2614	4.4253	3.8615	3.1998	3.8615		1.8392	3.1362	2.5403
H11	2.2265	3.1319	3.5573	1.0879	2.2614	3.8615	3.1998	3.8615	4.4253	1.8392		2.5403	3.1362
H12	2.2265	3.1319	3.5573	2.2614	1.0879	3.1998	3.8615	4.4253	3.8615	3.1362	2.5403		1.8392
H13	2.2265	3.5573	3.1319	2.2614	1.0879	3.8615	4.4253	3.8615	3.1998	2.5403	3.1362	1.8392

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	58.822	C1	C2	H6	118.290
C1	C2	H7	118.290	C1	C3	C2	58.822
C1	C3	H8	118.290	C1	C3	H9	118.290
C1	C4	C5	58.822	C1	C4	H10	118.290
C1	C4	H11	118.290	C1	C5	C4	58.822
C1	C5	H12	118.290	C1	C5	H13	118.290
C2	C1	C3	62.356	C2	C1	C4	137.053
C2	C1	C5	137.053	C2	C3	H8	117.158
C2	C3	H9	117.158	C3	C1	C4	137.053
C3	C1	C5	137.053	C3	C2	H6	117.158
C3	C2	H7	117.158	C4	C1	C5	62.356
C4	C5	H12	117.158	C4	C5	H13	117.158
C5	C4	H10	117.158	C5	C4	H11	117.158
H6	C2	H7	115.405	H8	C3	H9	115.405
H10	C4	H11	115.405	H12	C5	H13	115.405

All results from a given calculation for C₅H₈ (Spiropentane)

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

All results from a given calculation for C₅H₈ (Spiropentane)