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	hartrees
Energy at 0K	-194.726208
Energy at 298.15K	-194.734884
HF Energy	-193.948316
Nuclear repulsion energy	170.453727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3167	3000	0.00
2	A₁	1526	1445	0.00
3	A₁	1103	1044	0.00
4	A₁	1072	1015	0.00
5	A₁	615	582	0.00
6	A₂	3257	3085	0.00
7	A₂	1192	1129	0.00
8	A₂	859	814	0.00
9	B₁	3256	3084	0.00
10	B₁	1203	1139	0.00
11	B₁	1045	990	0.00
12	B₁	300	284	0.00
13	B₂	3169	3002	26.64
14	B₂	1631	1545	1.25
15	B₂	1467	1389	0.41
16	B₂	1030	976	22.92
17	B₂	928	879	18.76
18	E	3269	3096	18.10
18	E	3269	3096	18.10
19	E	3164	2996	18.56
19	E	3164	2996	18.56
20	E	1491	1412	2.34
20	E	1491	1412	2.34
21	E	1207	1143	1.75
21	E	1207	1143	1.75
22	E	1078	1021	2.95
22	E	1078	1021	2.95
23	E	916	868	5.70
23	E	916	868	5.70
24	E	804	762	0.44
24	E	804	762	0.44
25	E	304	288	0.39
25	E	304	288	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.765	1.268
C3	0.000	-0.765	1.268
C4	-0.765	0.000	-1.268
C5	0.765	0.000	-1.268
H6	0.916	1.263	1.569
H7	-0.916	1.263	1.569
H8	-0.916	-1.263	1.569
H9	0.916	-1.263	1.569
H10	-1.263	-0.916	-1.569
H11	-1.263	0.916	-1.569
H12	1.263	0.916	-1.569
H13	1.263	-0.916	-1.569

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4812	1.4812	1.4812	1.4812	2.2131	2.2131	2.2131	2.2131	2.2131	2.2131	2.2131	2.2131
C2	1.4812		1.5299	2.7579	2.7579	1.0853	1.0853	2.2458	2.2458	3.5319	3.1100	3.1100	3.5319
C3	1.4812	1.5299		2.7579	2.7579	2.2458	2.2458	1.0853	1.0853	3.1100	3.5319	3.5319	3.1100
C4	1.4812	2.7579	2.7579		1.5299	3.5319	3.1100	3.1100	3.5319	1.0853	1.0853	2.2458	2.2458
C5	1.4812	2.7579	2.7579	1.5299		3.1100	3.5319	3.5319	3.1100	2.2458	2.2458	1.0853	1.0853
H6	2.2131	1.0853	2.2458	3.5319	3.1100		1.8316	3.1210	2.5270	4.3988	3.8368	3.1769	3.8368
H7	2.2131	1.0853	2.2458	3.1100	3.5319	1.8316		2.5270	3.1210	3.8368	3.1769	3.8368	4.3988
H8	2.2131	2.2458	1.0853	3.1100	3.5319	3.1210	2.5270		1.8316	3.1769	3.8368	4.3988	3.8368
H9	2.2131	2.2458	1.0853	3.5319	3.1100	2.5270	3.1210	1.8316		3.8368	4.3988	3.8368	3.1769
H10	2.2131	3.5319	3.1100	1.0853	2.2458	4.3988	3.8368	3.1769	3.8368		1.8316	3.1210	2.5270
H11	2.2131	3.1100	3.5319	1.0853	2.2458	3.8368	3.1769	3.8368	4.3988	1.8316		2.5270	3.1210
H12	2.2131	3.1100	3.5319	2.2458	1.0853	3.1769	3.8368	4.3988	3.8368	3.1210	2.5270		1.8316
H13	2.2131	3.5319	3.1100	2.2458	1.0853	3.8368	4.3988	3.8368	3.1769	2.5270	3.1210	1.8316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	58.908	C1	C2	H6	118.336
C1	C2	H7	118.336	C1	C3	C2	58.908
C1	C3	H8	118.336	C1	C3	H9	118.336
C1	C4	C5	58.908	C1	C4	H10	118.336
C1	C4	H11	118.336	C1	C5	C4	58.908
C1	C5	H12	118.336	C1	C5	H13	118.336
C2	C1	C3	62.184	C2	C1	C4	137.165
C2	C1	C5	137.165	C2	C3	H8	117.348
C2	C3	H9	117.348	C3	C1	C4	137.165
C3	C1	C5	137.165	C3	C2	H6	117.348
C3	C2	H7	117.348	C4	C1	C5	62.184
C4	C5	H12	117.348	C4	C5	H13	117.348
C5	C4	H10	117.348	C5	C4	H11	117.348
H6	C2	H7	115.100	H8	C3	H9	115.100
H10	C4	H11	115.100	H12	C5	H13	115.100

All results from a given calculation for C₅H₈ (Spiropentane)

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₅H₈ (Spiropentane)