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	hartrees
Energy at 0K	-194.621789
Energy at 298.15K	-194.630411
HF Energy	-193.929396
Nuclear repulsion energy	169.405619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3172	3021	0.00
2	A₁	1492	1421	0.00
3	A₁	1097	1045	0.00
4	A₁	1057	1007	0.00
5	A₁	612	583	0.00
6	A₂	3268	3113	0.00
7	A₂	1169	1114	0.00
8	A₂	831	792	0.00
9	B₁	3267	3112	0.00
10	B₁	1179	1123	0.00
11	B₁	1023	974	0.00
12	B₁	292	278	0.00
13	B₂	3174	3023	23.75
14	B₂	1624	1547	2.00
15	B₂	1434	1366	0.01
16	B₂	1012	964	12.59
17	B₂	926	882	17.02
18	E	3280	3124	13.11
18	E	3280	3124	13.11
19	E	3168	3018	14.96
19	E	3168	3018	14.96
20	E	1454	1385	0.89
20	E	1454	1385	0.89
21	E	1189	1133	1.58
21	E	1189	1133	1.58
22	E	1066	1015	1.31
22	E	1066	1015	1.31
23	E	910	867	4.84
23	E	910	867	4.84
24	E	788	751	0.24
24	E	788	751	0.24
25	E	298	284	0.21
25	E	298	284	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.769	1.276
C3	0.000	-0.769	1.276
C4	-0.769	0.000	-1.276
C5	0.769	0.000	-1.276
H6	0.925	1.270	1.578
H7	-0.925	1.270	1.578
H8	-0.925	-1.270	1.578
H9	0.925	-1.270	1.578
H10	-1.270	-0.925	-1.578
H11	-1.270	0.925	-1.578
H12	1.270	0.925	-1.578
H13	1.270	-0.925	-1.578

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4897	1.4897	1.4897	1.4897	2.2269	2.2269	2.2269	2.2269	2.2269	2.2269	2.2269	2.2269
C2	1.4897		1.5379	2.7738	2.7738	1.0947	1.0947	2.2597	2.2597	3.5534	3.1275	3.1275	3.5534
C3	1.4897	1.5379		2.7738	2.7738	2.2597	2.2597	1.0947	1.0947	3.1275	3.5534	3.5534	3.1275
C4	1.4897	2.7738	2.7738		1.5379	3.5534	3.1275	3.1275	3.5534	1.0947	1.0947	2.2597	2.2597
C5	1.4897	2.7738	2.7738	1.5379		3.1275	3.5534	3.5534	3.1275	2.2597	2.2597	1.0947	1.0947
H6	2.2269	1.0947	2.2597	3.5534	3.1275		1.8504	3.1432	2.5408	4.4269	3.8595	3.1929	3.8595
H7	2.2269	1.0947	2.2597	3.1275	3.5534	1.8504		2.5408	3.1432	3.8595	3.1929	3.8595	4.4269
H8	2.2269	2.2597	1.0947	3.1275	3.5534	3.1432	2.5408		1.8504	3.1929	3.8595	4.4269	3.8595
H9	2.2269	2.2597	1.0947	3.5534	3.1275	2.5408	3.1432	1.8504		3.8595	4.4269	3.8595	3.1929
H10	2.2269	3.5534	3.1275	1.0947	2.2597	4.4269	3.8595	3.1929	3.8595		1.8504	3.1432	2.5408
H11	2.2269	3.1275	3.5534	1.0947	2.2597	3.8595	3.1929	3.8595	4.4269	1.8504		2.5408	3.1432
H12	2.2269	3.1275	3.5534	2.2597	1.0947	3.1929	3.8595	4.4269	3.8595	3.1432	2.5408		1.8504
H13	2.2269	3.5534	3.1275	2.2597	1.0947	3.8595	4.4269	3.8595	3.1929	2.5408	3.1432	1.8504

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	58.923	C1	C2	H6	118.199
C1	C2	H7	118.199	C1	C3	C2	58.923
C1	C3	H8	118.199	C1	C3	H9	118.199
C1	C4	C5	58.923	C1	C4	H10	118.199
C1	C4	H11	118.199	C1	C5	C4	58.923
C1	C5	H12	118.199	C1	C5	H13	118.199
C2	C1	C3	62.154	C2	C1	C4	137.184
C2	C1	C5	137.184	C2	C3	H8	117.261
C2	C3	H9	117.261	C3	C1	C4	137.184
C3	C1	C5	137.184	C3	C2	H6	117.261
C3	C2	H7	117.261	C4	C1	C5	62.154
C4	C5	H12	117.261	C4	C5	H13	117.261
C5	C4	H10	117.261	C5	C4	H11	117.261
H6	C2	H7	115.368	H8	C3	H9	115.368
H10	C4	H11	115.368	H12	C5	H13	115.368

All results from a given calculation for C₅H₈ (Spiropentane)

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₈ (Spiropentane)