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	hartrees
Energy at 0K	-195.271522
Energy at 298.15K	-195.280125
Nuclear repulsion energy	170.022159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3133	3008	0.00
2	A₁	1523	1462	0.00
3	A₁	1097	1053	0.00
4	A₁	1063	1021	0.00
5	A₁	608	583	0.00
6	A₂	3202	3075	0.00
7	A₂	1183	1136	0.00
8	A₂	846	812	0.00
9	B₁	3201	3074	0.00
10	B₁	1195	1147	0.00
11	B₁	1036	994	0.00
12	B₁	292	280	0.00
13	B₂	3131	3007	41.87
14	B₂	1593	1530	1.67
15	B₂	1455	1397	0.27
16	B₂	1027	987	7.82
17	B₂	911	875	17.63
18	E	3215	3087	29.34
18	E	3215	3087	29.34
19	E	3129	3005	27.37
19	E	3129	3005	27.37
20	E	1492	1432	0.20
20	E	1492	1432	0.20
21	E	1193	1145	2.36
21	E	1193	1145	2.36
22	E	1086	1042	1.76
22	E	1086	1042	1.76
23	E	895	860	4.63
23	E	895	860	4.63
24	E	795	763	0.33
24	E	795	763	0.33
25	E	305	293	0.23
25	E	305	293	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.765	1.273
C3	0.000	-0.765	1.273
C4	-0.765	0.000	-1.273
C5	0.765	0.000	-1.273
H6	0.914	1.271	1.578
H7	-0.914	1.271	1.578
H8	-0.914	-1.271	1.578
H9	0.914	-1.271	1.578
H10	-1.271	-0.914	-1.578
H11	-1.271	0.914	-1.578
H12	1.271	0.914	-1.578
H13	1.271	-0.914	-1.578

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4851	1.4851	1.4851	1.4851	2.2227	2.2227	2.2227	2.2227	2.2227	2.2227	2.2227	2.2227
C2	1.4851		1.5292	2.7664	2.7664	1.0882	1.0882	2.2520	2.2520	3.5441	3.1251	3.1251	3.5441
C3	1.4851	1.5292		2.7664	2.7664	2.2520	2.2520	1.0882	1.0882	3.1251	3.5441	3.5441	3.1251
C4	1.4851	2.7664	2.7664		1.5292	3.5441	3.1251	3.1251	3.5441	1.0882	1.0882	2.2520	2.2520
C5	1.4851	2.7664	2.7664	1.5292		3.1251	3.5441	3.5441	3.1251	2.2520	2.2520	1.0882	1.0882
H6	2.2227	1.0882	2.2520	3.5441	3.1251		1.8273	3.1307	2.5421	4.4165	3.8549	3.1961	3.8549
H7	2.2227	1.0882	2.2520	3.1251	3.5441	1.8273		2.5421	3.1307	3.8549	3.1961	3.8549	4.4165
H8	2.2227	2.2520	1.0882	3.1251	3.5441	3.1307	2.5421		1.8273	3.1961	3.8549	4.4165	3.8549
H9	2.2227	2.2520	1.0882	3.5441	3.1251	2.5421	3.1307	1.8273		3.8549	4.4165	3.8549	3.1961
H10	2.2227	3.5441	3.1251	1.0882	2.2520	4.4165	3.8549	3.1961	3.8549		1.8273	3.1307	2.5421
H11	2.2227	3.1251	3.5441	1.0882	2.2520	3.8549	3.1961	3.8549	4.4165	1.8273		2.5421	3.1307
H12	2.2227	3.1251	3.5441	2.2520	1.0882	3.1961	3.8549	4.4165	3.8549	3.1307	2.5421		1.8273
H13	2.2227	3.5441	3.1251	2.2520	1.0882	3.8549	4.4165	3.8549	3.1961	2.5421	3.1307	1.8273

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.012	C1	C2	H6	118.667
C1	C2	H7	118.667	C1	C3	C2	59.012
C1	C3	H8	118.667	C1	C3	H9	118.667
C1	C4	C5	59.012	C1	C4	H10	118.667
C1	C4	H11	118.667	C1	C5	C4	59.012
C1	C5	H12	118.667	C1	C5	H13	118.667
C2	C1	C3	61.975	C2	C1	C4	137.301
C2	C1	C5	137.301	C2	C3	H8	117.736
C2	C3	H9	117.736	C3	C1	C4	137.301
C3	C1	C5	137.301	C3	C2	H6	117.736
C3	C2	H7	117.736	C4	C1	C5	61.975
C4	C5	H12	117.736	C4	C5	H13	117.736
C5	C4	H10	117.736	C5	C4	H11	117.736
H6	C2	H7	114.200	H8	C3	H9	114.200
H10	C4	H11	114.200	H12	C5	H13	114.200

All results from a given calculation for C₅H₈ (Spiropentane)

using model chemistry: B3LYP/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	ESP
1	C	0.120	0.242	0.258
2	C	-0.328	-0.240	-0.297
3	C	-0.328	-0.239	-0.297
4	C	-0.328	-0.239	-0.293
5	C	-0.328	-0.240	-0.300
6	H	0.149	0.089	0.118
7	H	0.149	0.089	0.115
8	H	0.149	0.089	0.115
9	H	0.149	0.089	0.118
10	H	0.149	0.089	0.116
11	H	0.149	0.089	0.116
12	H	0.149	0.089	0.117
13	H	0.149	0.089	0.117

<r²>	111.829
(<r²>)^1/2	10.575

All results from a given calculation for C5H8 (Spiropentane)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for C₅H₈ (Spiropentane)