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	hartrees
Energy at 0K	-193.268309
Energy at 298.15K	-193.276989
HF Energy	-192.819416
Nuclear repulsion energy	169.019819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3191	3036	0.00
2	A₁	1573	1496	0.00
3	A₁	1150	1094	0.00
4	A₁	1004	955	0.00
5	A₁	574	546	0.00
6	A₂	3273	3114	0.00
7	A₂	1211	1152	0.00
8	A₂	889	845	0.00
9	B₁	3273	3114	0.00
10	B₁	1220	1161	0.00
11	B₁	1075	1023	0.00
12	B₁	310	295	0.00
13	B₂	3193	3037	20.13
14	B₂	1573	1497	0.90
15	B₂	1472	1400	2.08
16	B₂	1102	1048	24.42
17	B₂	848	807	17.04
18	E	3288	3127	13.70
18	E	3288	3127	13.70
19	E	3186	3031	12.12
19	E	3186	3031	12.12
20	E	1552	1477	1.00
20	E	1552	1477	1.00
21	E	1232	1172	3.26
21	E	1232	1172	3.26
22	E	1144	1089	3.26
22	E	1144	1089	3.26
23	E	887	844	4.23
23	E	887	844	4.23
24	E	823	783	0.70
24	E	823	783	0.70
25	E	304	289	0.54
25	E	304	289	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.778	1.278
C3	0.000	-0.778	1.278
C4	-0.778	0.000	-1.278
C5	0.778	0.000	-1.278
H6	0.917	1.275	1.574
H7	-0.917	1.275	1.574
H8	-0.917	-1.275	1.574
H9	0.917	-1.275	1.574
H10	-1.275	-0.917	-1.574
H11	-1.275	0.917	-1.574
H12	1.275	0.917	-1.574
H13	1.275	-0.917	-1.574

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4960	1.4960	1.4960	1.4960	2.2237	2.2237	2.2237	2.2237	2.2237	2.2237	2.2237	2.2237
C2	1.4960		1.5565	2.7822	2.7822	1.0844	1.0844	2.2681	2.2681	3.5543	3.1270	3.1270	3.5543
C3	1.4960	1.5565		2.7822	2.7822	2.2681	2.2681	1.0844	1.0844	3.1270	3.5543	3.5543	3.1270
C4	1.4960	2.7822	2.7822		1.5565	3.5543	3.1270	3.1270	3.5543	1.0844	1.0844	2.2681	2.2681
C5	1.4960	2.7822	2.7822	1.5565		3.1270	3.5543	3.5543	3.1270	2.2681	2.2681	1.0844	1.0844
H6	2.2237	1.0844	2.2681	3.5543	3.1270		1.8343	3.1410	2.5498	4.4185	3.8530	3.1889	3.8530
H7	2.2237	1.0844	2.2681	3.1270	3.5543	1.8343		2.5498	3.1410	3.8530	3.1889	3.8530	4.4185
H8	2.2237	2.2681	1.0844	3.1270	3.5543	3.1410	2.5498		1.8343	3.1889	3.8530	4.4185	3.8530
H9	2.2237	2.2681	1.0844	3.5543	3.1270	2.5498	3.1410	1.8343		3.8530	4.4185	3.8530	3.1889
H10	2.2237	3.5543	3.1270	1.0844	2.2681	4.4185	3.8530	3.1889	3.8530		1.8343	3.1410	2.5498
H11	2.2237	3.1270	3.5543	1.0844	2.2681	3.8530	3.1889	3.8530	4.4185	1.8343		2.5498	3.1410
H12	2.2237	3.1270	3.5543	2.2681	1.0844	3.1889	3.8530	4.4185	3.8530	3.1410	2.5498		1.8343
H13	2.2237	3.5543	3.1270	2.2681	1.0844	3.8530	4.4185	3.8530	3.1889	2.5498	3.1410	1.8343

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	58.654	C1	C2	H6	118.155
C1	C2	H7	118.155	C1	C3	C2	58.654
C1	C3	H8	118.155	C1	C3	H9	118.155
C1	C4	C5	58.654	C1	C4	H10	118.155
C1	C4	H11	118.155	C1	C5	C4	58.654
C1	C5	H12	118.155	C1	C5	H13	118.155
C2	C1	C3	62.692	C2	C1	C4	136.835
C2	C1	C5	136.835	C2	C3	H8	117.260
C2	C3	H9	117.260	C3	C1	C4	136.835
C3	C1	C5	136.835	C3	C2	H6	117.260
C3	C2	H7	117.260	C4	C1	C5	62.692
C4	C5	H12	117.260	C4	C5	H13	117.260
C5	C4	H10	117.260	C5	C4	H11	117.260
H6	C2	H7	115.518	H8	C3	H9	115.518
H10	C4	H11	115.518	H12	C5	H13	115.518

All results from a given calculation for C₅H₈ (Spiropentane)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for C₅H₈ (Spiropentane)