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	hartrees
Energy at 0K	-192.821140
Energy at 298.15K	-192.830044
Nuclear repulsion energy	170.898280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3317	2994	0.00
2	A₁	1641	1481	0.00
3	A₁	1226	1106	0.00
4	A₁	1073	969	0.00
5	A₁	613	553	0.00
6	A₂	3389	3058	0.00
7	A₂	1282	1157	0.00
8	A₂	939	847	0.00
9	B₁	3389	3059	0.00
10	B₁	1293	1167	0.00
11	B₁	1135	1025	0.00
12	B₁	324	292	0.00
13	B₂	3316	2993	28.97
14	B₂	1659	1498	1.21
15	B₂	1546	1396	4.25
16	B₂	1172	1058	19.29
17	B₂	926	836	37.93
18	E	3404	3072	18.17
18	E	3404	3072	18.17
19	E	3309	2987	19.81
19	E	3309	2987	19.81
20	E	1613	1456	1.79
20	E	1613	1456	1.79
21	E	1308	1181	5.13
21	E	1308	1181	5.13
22	E	1245	1124	1.67
22	E	1245	1124	1.67
23	E	937	845	8.36
23	E	937	845	8.36
24	E	866	781	0.61
24	E	866	781	0.61
25	E	312	282	0.46
25	E	312	282	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.766	1.267
C3	0.000	-0.766	1.267
C4	-0.766	0.000	-1.267
C5	0.766	0.000	-1.267
H6	0.907	1.260	1.559
H7	-0.907	1.260	1.559
H8	-0.907	-1.260	1.559
H9	0.907	-1.260	1.559
H10	-1.260	-0.907	-1.559
H11	-1.260	0.907	-1.559
H12	1.260	0.907	-1.559
H13	1.260	-0.907	-1.559

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4810	1.4810	1.4810	1.4810	2.1999	2.1999	2.1999	2.1999	2.1999	2.1999	2.1999	2.1999
C2	1.4810		1.5329	2.7566	2.7566	1.0726	1.0726	2.2389	2.2389	3.5177	3.0975	3.0975	3.5177
C3	1.4810	1.5329		2.7566	2.7566	2.2389	2.2389	1.0726	1.0726	3.0975	3.5177	3.5177	3.0975
C4	1.4810	2.7566	2.7566		1.5329	3.5177	3.0975	3.0975	3.5177	1.0726	1.0726	2.2389	2.2389
C5	1.4810	2.7566	2.7566	1.5329		3.0975	3.5177	3.5177	3.0975	2.2389	2.2389	1.0726	1.0726
H6	2.1999	1.0726	2.2389	3.5177	3.0975		1.8133	3.1041	2.5194	4.3714	3.8132	3.1579	3.8132
H7	2.1999	1.0726	2.2389	3.0975	3.5177	1.8133		2.5194	3.1041	3.8132	3.1579	3.8132	4.3714
H8	2.1999	2.2389	1.0726	3.0975	3.5177	3.1041	2.5194		1.8133	3.1579	3.8132	4.3714	3.8132
H9	2.1999	2.2389	1.0726	3.5177	3.0975	2.5194	3.1041	1.8133		3.8132	4.3714	3.8132	3.1579
H10	2.1999	3.5177	3.0975	1.0726	2.2389	4.3714	3.8132	3.1579	3.8132		1.8133	3.1041	2.5194
H11	2.1999	3.0975	3.5177	1.0726	2.2389	3.8132	3.1579	3.8132	4.3714	1.8133		2.5194	3.1041
H12	2.1999	3.0975	3.5177	2.2389	1.0726	3.1579	3.8132	4.3714	3.8132	3.1041	2.5194		1.8133
H13	2.1999	3.5177	3.0975	2.2389	1.0726	3.8132	4.3714	3.8132	3.1579	2.5194	3.1041	1.8133

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	58.834	C1	C2	H6	118.086
C1	C2	H7	118.086	C1	C3	C2	58.834
C1	C3	H8	118.086	C1	C3	H9	118.086
C1	C4	C5	58.834	C1	C4	H10	118.086
C1	C4	H11	118.086	C1	C5	C4	58.834
C1	C5	H12	118.086	C1	C5	H13	118.086
C2	C1	C3	62.333	C2	C1	C4	137.068
C2	C1	C5	137.068	C2	C3	H8	117.379
C2	C3	H9	117.379	C3	C1	C4	137.068
C3	C1	C5	137.068	C3	C2	H6	117.379
C3	C2	H7	117.379	C4	C1	C5	62.333
C4	C5	H12	117.379	C4	C5	H13	117.379
C5	C4	H10	117.379	C5	C4	H11	117.379
H6	C2	H7	115.404	H8	C3	H9	115.404
H10	C4	H11	115.404	H12	C5	H13	115.404

All results from a given calculation for C₅H₈ (Spiropentane)

using model chemistry: HF/3-21G*

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	-0.201	0.255
2	C	-0.404	-0.303
3	C	-0.404	-0.300
4	C	-0.404	-0.300
5	C	-0.404	-0.303
6	H	0.227	0.119
7	H	0.227	0.119
8	H	0.227	0.118
9	H	0.227	0.118
10	H	0.227	0.118
11	H	0.227	0.118
12	H	0.227	0.119
13	H	0.227	0.119

<r²>	111.205
(<r²>)^1/2	10.545

All results from a given calculation for C5H8 (Spiropentane)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for C₅H₈ (Spiropentane)