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	hartrees
Energy at 0K	-194.664891
Energy at 298.15K	-194.673629
HF Energy	-193.934074
Nuclear repulsion energy	170.845380

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3212	3017	0.00
2	A₁	1545	1451	0.00
3	A₁	1114	1046	0.00
4	A₁	1091	1024	0.00
5	A₁	620	582	0.00
6	A₂	3304	3103	0.00
7	A₂	1199	1126	0.00
8	A₂	868	815	0.00
9	B₁	3303	3102	0.00
10	B₁	1210	1136	0.00
11	B₁	1056	991	0.00
12	B₁	304	285	0.00
13	B₂	3214	3019	28.60
14	B₂	1642	1542	2.64
15	B₂	1481	1391	0.04
16	B₂	1055	991	19.58
17	B₂	928	872	22.99
18	E	3315	3113	16.30
18	E	3315	3113	16.30
19	E	3209	3014	19.55
19	E	3209	3014	19.55
20	E	1509	1417	0.61
20	E	1509	1417	0.61
21	E	1215	1141	1.49
21	E	1215	1141	1.49
22	E	1104	1037	1.97
22	E	1104	1037	1.97
23	E	925	868	6.79
23	E	925	868	6.79
24	E	809	760	0.61
24	E	809	760	0.61
25	E	314	294	0.23
25	E	314	294	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.764	1.265
C3	0.000	-0.764	1.265
C4	-0.764	0.000	-1.265
C5	0.764	0.000	-1.265
H6	0.913	1.261	1.565
H7	-0.913	1.261	1.565
H8	-0.913	-1.261	1.565
H9	0.913	-1.261	1.565
H10	-1.261	-0.913	-1.565
H11	-1.261	0.913	-1.565
H12	1.261	0.913	-1.565
H13	1.261	-0.913	-1.565

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4780	1.4780	1.4780	1.4780	2.2075	2.2075	2.2075	2.2075	2.2075	2.2075	2.2075	2.2075
C2	1.4780		1.5280	2.7514	2.7514	1.0816	1.0816	2.2413	2.2413	3.5231	3.1022	3.1022	3.5231
C3	1.4780	1.5280		2.7514	2.7514	2.2413	2.2413	1.0816	1.0816	3.1022	3.5231	3.5231	3.1022
C4	1.4780	2.7514	2.7514		1.5280	3.5231	3.1022	3.1022	3.5231	1.0816	1.0816	2.2413	2.2413
C5	1.4780	2.7514	2.7514	1.5280		3.1022	3.5231	3.5231	3.1022	2.2413	2.2413	1.0816	1.0816
H6	2.2075	1.0816	2.2413	3.5231	3.1022		1.8251	3.1131	2.5221	4.3873	3.8269	3.1690	3.8269
H7	2.2075	1.0816	2.2413	3.1022	3.5231	1.8251		2.5221	3.1131	3.8269	3.1690	3.8269	4.3873
H8	2.2075	2.2413	1.0816	3.1022	3.5231	3.1131	2.5221		1.8251	3.1690	3.8269	4.3873	3.8269
H9	2.2075	2.2413	1.0816	3.5231	3.1022	2.5221	3.1131	1.8251		3.8269	4.3873	3.8269	3.1690
H10	2.2075	3.5231	3.1022	1.0816	2.2413	4.3873	3.8269	3.1690	3.8269		1.8251	3.1131	2.5221
H11	2.2075	3.1022	3.5231	1.0816	2.2413	3.8269	3.1690	3.8269	4.3873	1.8251		2.5221	3.1131
H12	2.2075	3.1022	3.5231	2.2413	1.0816	3.1690	3.8269	4.3873	3.8269	3.1131	2.5221		1.8251
H13	2.2075	3.5231	3.1022	2.2413	1.0816	3.8269	4.3873	3.8269	3.1690	2.5221	3.1131	1.8251

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	58.874	C1	C2	H6	118.360
C1	C2	H7	118.360	C1	C3	C2	58.874
C1	C3	H8	118.360	C1	C3	H9	118.360
C1	C4	C5	58.874	C1	C4	H10	118.360
C1	C4	H11	118.360	C1	C5	C4	58.874
C1	C5	H12	118.360	C1	C5	H13	118.360
C2	C1	C3	62.252	C2	C1	C4	137.121
C2	C1	C5	137.121	C2	C3	H8	117.357
C2	C3	H9	117.357	C3	C1	C4	137.121
C3	C1	C5	137.121	C3	C2	H6	117.357
C3	C2	H7	117.357	C4	C1	C5	62.252
C4	C5	H12	117.357	C4	C5	H13	117.357
C5	C4	H10	117.357	C5	C4	H11	117.357
H6	C2	H7	115.071	H8	C3	H9	115.071
H10	C4	H11	115.071	H12	C5	H13	115.071

All results from a given calculation for C₅H₈ (Spiropentane)

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

All results from a given calculation for C₅H₈ (Spiropentane)