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	hartrees
Energy at 0K	-194.733884
Energy at 298.15K	-194.742552
HF Energy	-193.941501
Nuclear repulsion energy	170.813698

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3192	3015	0.00
2	A₁	1511	1428	0.00
3	A₁	1108	1047	0.00
4	A₁	1071	1011	0.00
5	A₁	621	587	0.00
6	A₂	3283	3101	0.00
7	A₂	1187	1122	0.00
8	A₂	845	798	0.00
9	B₁	3282	3100	0.00
10	B₁	1196	1129	0.00
11	B₁	1041	983	0.00
12	B₁	295	279	0.00
13	B₂	3194	3017	19.62
14	B₂	1621	1531	1.57
15	B₂	1456	1375	0.11
16	B₂	1030	972	12.54
17	B₂	944	891	13.94
18	E	3294	3111	8.62
18	E	3294	3111	8.62
19	E	3190	3013	11.42
19	E	3190	3013	11.42
20	E	1479	1397	0.68
20	E	1479	1397	0.68
21	E	1202	1135	2.20
21	E	1202	1135	2.20
22	E	1087	1026	1.66
22	E	1087	1026	1.66
23	E	919	868	4.62
23	E	919	868	4.62
24	E	796	752	0.31
24	E	796	752	0.31
25	E	301	285	0.20
25	E	301	285	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.763	1.266
C3	0.000	-0.763	1.266
C4	-0.763	0.000	-1.266
C5	0.763	0.000	-1.266
H6	0.913	1.262	1.566
H7	-0.913	1.262	1.566
H8	-0.913	-1.262	1.566
H9	0.913	-1.262	1.566
H10	-1.262	-0.913	-1.566
H11	-1.262	0.913	-1.566
H12	1.262	0.913	-1.566
H13	1.262	-0.913	-1.566

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4781	1.4781	1.4781	1.4781	2.2091	2.2091	2.2091	2.2091	2.2091	2.2091	2.2091	2.2091
C2	1.4781		1.5258	2.7523	2.7523	1.0831	1.0831	2.2414	2.2414	3.5248	3.1045	3.1045	3.5248
C3	1.4781	1.5258		2.7523	2.7523	2.2414	2.2414	1.0831	1.0831	3.1045	3.5248	3.5248	3.1045
C4	1.4781	2.7523	2.7523		1.5258	3.5248	3.1045	3.1045	3.5248	1.0831	1.0831	2.2414	2.2414
C5	1.4781	2.7523	2.7523	1.5258		3.1045	3.5248	3.5248	3.1045	2.2414	2.2414	1.0831	1.0831
H6	2.2091	1.0831	2.2414	3.5248	3.1045		1.8265	3.1152	2.5236	4.3906	3.8298	3.1715	3.8298
H7	2.2091	1.0831	2.2414	3.1045	3.5248	1.8265		2.5236	3.1152	3.8298	3.1715	3.8298	4.3906
H8	2.2091	2.2414	1.0831	3.1045	3.5248	3.1152	2.5236		1.8265	3.1715	3.8298	4.3906	3.8298
H9	2.2091	2.2414	1.0831	3.5248	3.1045	2.5236	3.1152	1.8265		3.8298	4.3906	3.8298	3.1715
H10	2.2091	3.5248	3.1045	1.0831	2.2414	4.3906	3.8298	3.1715	3.8298		1.8265	3.1152	2.5236
H11	2.2091	3.1045	3.5248	1.0831	2.2414	3.8298	3.1715	3.8298	4.3906	1.8265		2.5236	3.1152
H12	2.2091	3.1045	3.5248	2.2414	1.0831	3.1715	3.8298	4.3906	3.8298	3.1152	2.5236		1.8265
H13	2.2091	3.5248	3.1045	2.2414	1.0831	3.8298	4.3906	3.8298	3.1715	2.5236	3.1152	1.8265

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	58.927	C1	C2	H6	118.382
C1	C2	H7	118.382	C1	C3	C2	58.927
C1	C3	H8	118.382	C1	C3	H9	118.382
C1	C4	C5	58.927	C1	C4	H10	118.382
C1	C4	H11	118.382	C1	C5	C4	58.927
C1	C5	H12	118.382	C1	C5	H13	118.382
C2	C1	C3	62.146	C2	C1	C4	137.190
C2	C1	C5	137.190	C2	C3	H8	117.428
C2	C3	H9	117.428	C3	C1	C4	137.190
C3	C1	C5	137.190	C3	C2	H6	117.428
C3	C2	H7	117.428	C4	C1	C5	62.146
C4	C5	H12	117.428	C4	C5	H13	117.428
C5	C4	H10	117.428	C5	C4	H11	117.428
H6	C2	H7	114.944	H8	C3	H9	114.944
H10	C4	H11	114.944	H12	C5	H13	114.944

All results from a given calculation for C₅H₈ (Spiropentane)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₅H₈ (Spiropentane)