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	hartrees
Energy at 0K	-32.313555
Energy at 298.15K	-32.322117
HF Energy	-31.909859
Nuclear repulsion energy	89.419006

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3136	3030	0.00
2	A₁	1522	1470	0.00
3	A₁	1125	1087	0.00
4	A₁	1029	994	0.00
5	A₁	568	549	0.00
6	A₂	3230	3121	0.00
7	A₂	1158	1119	0.00
8	A₂	836	807	0.00
9	B₁	3236	3127	0.00
10	B₁	1188	1148	0.00
11	B₁	1039	1004	0.00
12	B₁	288	279	0.00
13	B₂	3136	3031	51.56
14	B₂	1587	1534	0.50
15	B₂	1452	1403	1.35
16	B₂	1089	1052	23.00
17	B₂	855	826	27.57
18	E	3251	3142	54.10
18	E	3251	3142	54.10
19	E	3129	3023	37.96
19	E	3129	3023	37.96
20	E	1490	1440	1.18
20	E	1490	1440	1.18
21	E	1191	1151	6.07
21	E	1191	1151	6.07
22	E	1104	1067	3.27
22	E	1104	1067	3.27
23	E	873	844	8.32
23	E	873	844	8.32
24	E	799	772	2.59
24	E	799	772	2.59
25	E	301	291	0.59
25	E	301	291	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.797	1.311
C3	0.000	-0.797	1.311
C4	-0.797	0.000	-1.311
C5	0.797	0.000	-1.311
H6	0.930	1.301	1.620
H7	-0.930	1.301	1.620
H8	-0.930	-1.301	1.620
H9	0.930	-1.301	1.620
H10	-1.301	-0.930	-1.620
H11	-1.301	0.930	-1.620
H12	1.301	0.930	-1.620
H13	1.301	-0.930	-1.620

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5340	1.5340	1.5340	1.5340	2.2760	2.2760	2.2760	2.2760	2.2760	2.2760	2.2760	2.2760
C2	1.5340		1.5938	2.8534	2.8534	1.1020	1.1020	2.3152	2.3152	3.6416	3.2088	3.2088	3.6416
C3	1.5340	1.5938		2.8534	2.8534	2.3152	2.3152	1.1020	1.1020	3.2088	3.6416	3.6416	3.2088
C4	1.5340	2.8534	2.8534		1.5938	3.6416	3.2088	3.2088	3.6416	1.1020	1.1020	2.3152	2.3152
C5	1.5340	2.8534	2.8534	1.5938		3.2088	3.6416	3.6416	3.2088	2.3152	2.3152	1.1020	1.1020
H6	2.2760	1.1020	2.3152	3.6416	3.2088		1.8602	3.1980	2.6013	4.5217	3.9505	3.2813	3.9505
H7	2.2760	1.1020	2.3152	3.2088	3.6416	1.8602		2.6013	3.1980	3.9505	3.2813	3.9505	4.5217
H8	2.2760	2.3152	1.1020	3.2088	3.6416	3.1980	2.6013		1.8602	3.2813	3.9505	4.5217	3.9505
H9	2.2760	2.3152	1.1020	3.6416	3.2088	2.6013	3.1980	1.8602		3.9505	4.5217	3.9505	3.2813
H10	2.2760	3.6416	3.2088	1.1020	2.3152	4.5217	3.9505	3.2813	3.9505		1.8602	3.1980	2.6013
H11	2.2760	3.2088	3.6416	1.1020	2.3152	3.9505	3.2813	3.9505	4.5217	1.8602		2.6013	3.1980
H12	2.2760	3.2088	3.6416	2.3152	1.1020	3.2813	3.9505	4.5217	3.9505	3.1980	2.6013		1.8602
H13	2.2760	3.6416	3.2088	2.3152	1.1020	3.9505	4.5217	3.9505	3.2813	2.6013	3.1980	1.8602

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	58.701	C1	C2	H6	118.491
C1	C2	H7	118.491	C1	C3	C2	58.701
C1	C3	H8	118.491	C1	C3	H9	118.491
C1	C4	C5	58.701	C1	C4	H10	118.491
C1	C4	H11	118.491	C1	C5	C4	58.701
C1	C5	H12	118.491	C1	C5	H13	118.491
C2	C1	C3	62.598	C2	C1	C4	136.896
C2	C1	C5	136.896	C2	C3	H8	117.203
C2	C3	H9	117.203	C3	C1	C4	136.896
C3	C1	C5	136.896	C3	C2	H6	117.203
C3	C2	H7	117.203	C4	C1	C5	62.598
C4	C5	H12	117.203	C4	C5	H13	117.203
C5	C4	H10	117.203	C5	C4	H11	117.203
H6	C2	H7	115.142	H8	C3	H9	115.142
H10	C4	H11	115.142	H12	C5	H13	115.142

All results from a given calculation for C₅H₈ (Spiropentane)

using model chemistry: MP2/CEP-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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All results from a given calculation for C5H8 (Spiropentane)

using model chemistry: MP2/CEP-31G

States and conformations

All results from a given calculation for C₅H₈ (Spiropentane)