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	hartrees
Energy at 0K	-194.275412
Energy at 298.15K	-194.284079
HF Energy	-193.842470
Nuclear repulsion energy	166.736925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3136	3028	0.00
2	A₁	1531	1478	0.00
3	A₁	1137	1098	0.00
4	A₁	1021	985	0.00
5	A₁	571	551	0.00
6	A₂	3232	3120	0.00
7	A₂	1195	1154	0.00
8	A₂	885	854	0.00
9	B₁	3231	3119	0.00
10	B₁	1201	1159	0.00
11	B₁	1054	1017	0.00
12	B₁	290	280	0.00
13	B₂	3139	3030	38.24
14	B₂	1575	1520	0.12
15	B₂	1471	1420	0.92
16	B₂	1104	1065	29.85
17	B₂	849	820	23.48
18	E	3246	3133	31.58
18	E	3246	3133	31.58
19	E	3129	3021	27.82
19	E	3129	3021	27.82
20	E	1506	1454	2.23
20	E	1506	1454	2.23
21	E	1207	1165	5.39
21	E	1207	1165	5.39
22	E	1125	1086	2.80
22	E	1125	1086	2.80
23	E	880	849	7.31
23	E	880	849	7.31
24	E	810	782	2.86
24	E	810	782	2.86
25	E	328	316	0.61
25	E	328	316	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.791	1.295
C3	0.000	-0.791	1.295
C4	-0.791	0.000	-1.295
C5	0.791	0.000	-1.295
H6	0.924	1.291	1.603
H7	-0.924	1.291	1.603
H8	-0.924	-1.291	1.603
H9	0.924	-1.291	1.603
H10	-1.291	-0.924	-1.603
H11	-1.291	0.924	-1.603
H12	1.291	0.924	-1.603
H13	1.291	-0.924	-1.603

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5170	1.5170	1.5170	1.5170	2.2559	2.2559	2.2559	2.2559	2.2559	2.2559	2.2559	2.2559
C2	1.5170		1.5811	2.8206	2.8206	1.0949	1.0949	2.2983	2.2983	3.6057	3.1749	3.1749	3.6057
C3	1.5170	1.5811		2.8206	2.8206	2.2983	2.2983	1.0949	1.0949	3.1749	3.6057	3.6057	3.1749
C4	1.5170	2.8206	2.8206		1.5811	3.6057	3.1749	3.1749	3.6057	1.0949	1.0949	2.2983	2.2983
C5	1.5170	2.8206	2.8206	1.5811		3.1749	3.6057	3.6057	3.1749	2.2983	2.2983	1.0949	1.0949
H6	2.2559	1.0949	2.2983	3.6057	3.1749		1.8475	3.1754	2.5826	4.4818	3.9134	3.2471	3.9134
H7	2.2559	1.0949	2.2983	3.1749	3.6057	1.8475		2.5826	3.1754	3.9134	3.2471	3.9134	4.4818
H8	2.2559	2.2983	1.0949	3.1749	3.6057	3.1754	2.5826		1.8475	3.2471	3.9134	4.4818	3.9134
H9	2.2559	2.2983	1.0949	3.6057	3.1749	2.5826	3.1754	1.8475		3.9134	4.4818	3.9134	3.2471
H10	2.2559	3.6057	3.1749	1.0949	2.2983	4.4818	3.9134	3.2471	3.9134		1.8475	3.1754	2.5826
H11	2.2559	3.1749	3.6057	1.0949	2.2983	3.9134	3.2471	3.9134	4.4818	1.8475		2.5826	3.1754
H12	2.2559	3.1749	3.6057	2.2983	1.0949	3.2471	3.9134	4.4818	3.9134	3.1754	2.5826		1.8475
H13	2.2559	3.6057	3.1749	2.2983	1.0949	3.9134	4.4818	3.9134	3.2471	2.5826	3.1754	1.8475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	58.592	C1	C2	H6	118.574
C1	C2	H7	118.574	C1	C3	C2	58.592
C1	C3	H8	118.574	C1	C3	H9	118.574
C1	C4	C5	58.592	C1	C4	H10	118.574
C1	C4	H11	118.574	C1	C5	C4	58.592
C1	C5	H12	118.574	C1	C5	H13	118.574
C2	C1	C3	62.815	C2	C1	C4	136.755
C2	C1	C5	136.755	C2	C3	H8	117.215
C2	C3	H9	117.215	C3	C1	C4	136.755
C3	C1	C5	136.755	C3	C2	H6	117.215
C3	C2	H7	117.215	C4	C1	C5	62.815
C4	C5	H12	117.215	C4	C5	H13	117.215
C5	C4	H10	117.215	C5	C4	H11	117.215
H6	C2	H7	115.062	H8	C3	H9	115.062
H10	C4	H11	115.062	H12	C5	H13	115.062

All results from a given calculation for C₅H₈ (Spiropentane)

using model chemistry: MP2/SDD

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/SDD

States and conformations

All results from a given calculation for C₅H₈ (Spiropentane)