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	hartrees
Energy at 0K	-194.702747
Energy at 298.15K	-194.711445
HF Energy	-193.975429
Nuclear repulsion energy	170.942521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3176	3011	0.00
2	A₁	1521	1442	0.00
3	A₁	1097	1040	0.00
4	A₁	1074	1018	0.00
5	A₁	608	577	0.00
6	A₂	3267	3097	0.00
7	A₂	1194	1131	0.00
8	A₂	863	818	0.00
9	B₁	3266	3096	0.00
10	B₁	1202	1140	0.00
11	B₁	1051	997	0.00
12	B₁	302	286	0.00
13	B₂	3179	3013	27.30
14	B₂	1610	1526	2.02
15	B₂	1463	1387	0.01
16	B₂	1050	995	18.16
17	B₂	906	859	19.32
18	E	3279	3108	15.20
18	E	3279	3108	15.20
19	E	3174	3008	18.01
19	E	3174	3008	18.01
20	E	1490	1412	0.95
20	E	1490	1412	0.95
21	E	1205	1143	1.47
21	E	1205	1143	1.47
22	E	1092	1035	1.52
22	E	1092	1035	1.52
23	E	912	864	7.32
23	E	912	864	7.32
24	E	808	766	0.41
24	E	808	766	0.41
25	E	303	288	0.19
25	E	303	288	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.765	1.263
C3	0.000	-0.765	1.263
C4	-0.765	0.000	-1.263
C5	0.765	0.000	-1.263
H6	0.915	1.259	1.563
H7	-0.915	1.259	1.563
H8	-0.915	-1.259	1.563
H9	0.915	-1.259	1.563
H10	-1.259	-0.915	-1.563
H11	-1.259	0.915	-1.563
H12	1.259	0.915	-1.563
H13	1.259	-0.915	-1.563

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4763	1.4763	1.4763	1.4763	2.2055	2.2055	2.2055	2.2055	2.2055	2.2055	2.2055	2.2055
C2	1.4763		1.5294	2.7475	2.7475	1.0822	1.0822	2.2407	2.2407	3.5201	3.0972	3.0972	3.5201
C3	1.4763	1.5294		2.7475	2.7475	2.2407	2.2407	1.0822	1.0822	3.0972	3.5201	3.5201	3.0972
C4	1.4763	2.7475	2.7475		1.5294	3.5201	3.0972	3.0972	3.5201	1.0822	1.0822	2.2407	2.2407
C5	1.4763	2.7475	2.7475	1.5294		3.0972	3.5201	3.5201	3.0972	2.2407	2.2407	1.0822	1.0822
H6	2.2055	1.0822	2.2407	3.5201	3.0972		1.8297	3.1119	2.5172	4.3842	3.8230	3.1638	3.8230
H7	2.2055	1.0822	2.2407	3.0972	3.5201	1.8297		2.5172	3.1119	3.8230	3.1638	3.8230	4.3842
H8	2.2055	2.2407	1.0822	3.0972	3.5201	3.1119	2.5172		1.8297	3.1638	3.8230	4.3842	3.8230
H9	2.2055	2.2407	1.0822	3.5201	3.0972	2.5172	3.1119	1.8297		3.8230	4.3842	3.8230	3.1638
H10	2.2055	3.5201	3.0972	1.0822	2.2407	4.3842	3.8230	3.1638	3.8230		1.8297	3.1119	2.5172
H11	2.2055	3.0972	3.5201	1.0822	2.2407	3.8230	3.1638	3.8230	4.3842	1.8297		2.5172	3.1119
H12	2.2055	3.0972	3.5201	2.2407	1.0822	3.1638	3.8230	4.3842	3.8230	3.1119	2.5172		1.8297
H13	2.2055	3.5201	3.0972	2.2407	1.0822	3.8230	4.3842	3.8230	3.1638	2.5172	3.1119	1.8297

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	58.804	C1	C2	H6	118.278
C1	C2	H7	118.278	C1	C3	C2	58.804
C1	C3	H8	118.278	C1	C3	H9	118.278
C1	C4	C5	58.804	C1	C4	H10	118.278
C1	C4	H11	118.278	C1	C5	C4	58.804
C1	C5	H12	118.278	C1	C5	H13	118.278
C2	C1	C3	62.392	C2	C1	C4	137.030
C2	C1	C5	137.030	C2	C3	H8	117.155
C2	C3	H9	117.155	C3	C1	C4	137.030
C3	C1	C5	137.030	C3	C2	H6	117.155
C3	C2	H7	117.155	C4	C1	C5	62.392
C4	C5	H12	117.155	C4	C5	H13	117.155
C5	C4	H10	117.155	C5	C4	H11	117.155
H6	C2	H7	115.430	H8	C3	H9	115.430
H10	C4	H11	115.430	H12	C5	H13	115.430

All results from a given calculation for C₅H₈ (Spiropentane)

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₅H₈ (Spiropentane)