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	hartrees
Energy at 0K	-193.831640
Energy at 298.15K	-193.840703
Nuclear repulsion energy	171.005930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3306	2985	0.00
2	A₁	1651	1491	0.00
3	A₁	1242	1121	0.00
4	A₁	1137	1027	0.00
5	A₁	644	581	0.00
6	A₂	3376	3049	0.00
7	A₂	1298	1172	0.00
8	A₂	955	862	0.00
9	B₁	3377	3049	0.00
10	B₁	1310	1183	0.00
11	B₁	1144	1033	0.00
12	B₁	326	294	0.00
13	B₂	3306	2985	37.27
14	B₂	1716	1550	1.86
15	B₂	1584	1430	1.84
16	B₂	1186	1071	11.20
17	B₂	977	882	44.91
18	E	3392	3063	34.37
18	E	3392	3063	34.37
19	E	3297	2977	26.73
19	E	3297	2977	26.73
20	E	1624	1466	1.31
20	E	1624	1466	1.31
21	E	1318	1190	5.98
21	E	1318	1190	5.98
22	E	1262	1139	0.85
22	E	1262	1139	0.85
23	E	965	872	10.50
23	E	965	872	10.50
24	E	877	792	0.61
24	E	877	792	0.61
25	E	349	315	0.25
25	E	349	315	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.762	1.268
C3	0.000	-0.762	1.268
C4	-0.762	0.000	-1.268
C5	0.762	0.000	-1.268
H6	0.901	1.265	1.567
H7	-0.901	1.265	1.567
H8	-0.901	-1.265	1.567
H9	0.901	-1.265	1.567
H10	-1.265	-0.901	-1.567
H11	-1.265	0.901	-1.567
H12	1.265	0.901	-1.567
H13	1.265	-0.901	-1.567

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4792	1.4792	1.4792	1.4792	2.2063	2.2063	2.2063	2.2063	2.2063	2.2063	2.2063	2.2063
C2	1.4792		1.5248	2.7550	2.7550	1.0741	1.0741	2.2385	2.2385	3.5218	3.1074	3.1074	3.5218
C3	1.4792	1.5248		2.7550	2.7550	2.2385	2.2385	1.0741	1.0741	3.1074	3.5218	3.5218	3.1074
C4	1.4792	2.7550	2.7550		1.5248	3.5218	3.1074	3.1074	3.5218	1.0741	1.0741	2.2385	2.2385
C5	1.4792	2.7550	2.7550	1.5248		3.1074	3.5218	3.5218	3.1074	2.2385	2.2385	1.0741	1.0741
H6	2.2063	1.0741	2.2385	3.5218	3.1074		1.8015	3.1056	2.5297	4.3824	3.8273	3.1767	3.8273
H7	2.2063	1.0741	2.2385	3.1074	3.5218	1.8015		2.5297	3.1056	3.8273	3.1767	3.8273	4.3824
H8	2.2063	2.2385	1.0741	3.1074	3.5218	3.1056	2.5297		1.8015	3.1767	3.8273	4.3824	3.8273
H9	2.2063	2.2385	1.0741	3.5218	3.1074	2.5297	3.1056	1.8015		3.8273	4.3824	3.8273	3.1767
H10	2.2063	3.5218	3.1074	1.0741	2.2385	4.3824	3.8273	3.1767	3.8273		1.8015	3.1056	2.5297
H11	2.2063	3.1074	3.5218	1.0741	2.2385	3.8273	3.1767	3.8273	4.3824	1.8015		2.5297	3.1056
H12	2.2063	3.1074	3.5218	2.2385	1.0741	3.1767	3.8273	4.3824	3.8273	3.1056	2.5297		1.8015
H13	2.2063	3.5218	3.1074	2.2385	1.0741	3.8273	4.3824	3.8273	3.1767	2.5297	3.1056	1.8015

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	58.975	C1	C2	H6	118.702
C1	C2	H7	118.702	C1	C3	C2	58.975
C1	C3	H8	118.702	C1	C3	H9	118.702
C1	C4	C5	58.975	C1	C4	H10	118.702
C1	C4	H11	118.702	C1	C5	C4	58.975
C1	C5	H12	118.702	C1	C5	H13	118.702
C2	C1	C3	62.051	C2	C1	C4	137.252
C2	C1	C5	137.252	C2	C3	H8	117.891
C2	C3	H9	117.891	C3	C1	C4	137.252
C3	C1	C5	137.252	C3	C2	H6	117.891
C3	C2	H7	117.891	C4	C1	C5	62.051
C4	C5	H12	117.891	C4	C5	H13	117.891
C5	C4	H10	117.891	C5	C4	H11	117.891
H6	C2	H7	113.991	H8	C3	H9	113.991
H10	C4	H11	113.991	H12	C5	H13	113.991

All results from a given calculation for C₅H₈ (Spiropentane)

using model chemistry: HF/6-31G

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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Number	Element	Mulliken	CHELPG
1	C	-0.103	0.266
2	C	-0.320	-0.261
3	C	-0.320	-0.260
4	C	-0.320	-0.260
5	C	-0.320	-0.261
6	H	0.173	0.097
7	H	0.173	0.097
8	H	0.173	0.097
9	H	0.173	0.097
10	H	0.173	0.097
11	H	0.173	0.097
12	H	0.173	0.097
13	H	0.173	0.097

<r²>	111.230
(<r²>)^1/2	10.547

All results from a given calculation for C5H8 (Spiropentane)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for C₅H₈ (Spiropentane)