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	hartrees
Energy at 0K	-194.822585
Energy at 298.15K
HF Energy	-193.974380
Nuclear repulsion energy	180.003978

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3159	3006	0.00
2	A₁'	3091	2941	0.00
3	A₁'	1559	1483	0.00
4	A₁'	1138	1083	0.00
5	A₁'	908	864	0.00
6	A₁"	1011	962	0.00
7	A₂'	3164	3011	0.00
8	A₂'	968	921	0.00
9	A₂"	3155	3002	99.07
10	A₂"	1250	1189	40.92
11	A₂"	864	822	4.67
12	E'	3168	3014	50.54
12	E'	3168	3014	50.54
13	E'	3088	2938	67.24
13	E'	3088	2938	67.24
14	E'	1508	1434	0.72
14	E'	1508	1434	0.72
15	E'	1269	1207	2.86
15	E'	1269	1207	2.86
16	E'	1121	1066	0.45
16	E'	1121	1066	0.45
17	E'	923	878	0.42
17	E'	923	878	0.42
18	E'	538	512	0.12
18	E'	538	512	0.12
19	E"	1218	1159	0.00
19	E"	1218	1159	0.00
20	E"	1148	1092	0.00
20	E"	1148	1092	0.00
21	E"	1035	985	0.00
21	E"	1035	985	0.00
22	E"	809	770	0.00
22	E"	809	770	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.938
C2	0.000	1.234	0.000
C3	1.069	-0.617	0.000
C4	-1.069	-0.617	0.000
C5	0.000	0.000	-0.938
H6	0.000	0.000	2.025
H7	0.000	0.000	-2.025
H8	0.904	1.841	0.000
H9	-0.904	1.841	0.000
H10	1.143	-1.704	0.000
H11	2.047	-0.138	0.000
H12	-2.047	-0.138	0.000
H13	-1.143	-1.704	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5499	1.5499	1.5499	1.8754	1.0870	2.9624	2.2557	2.2557	2.2557	2.2557	2.2557	2.2557
C2	1.5499		2.1375	2.1375	1.5499	2.3711	2.3711	1.0894	1.0894	3.1523	2.4640	2.4640	3.1523
C3	1.5499	2.1375		2.1375	1.5499	2.3711	2.3711	2.4640	3.1523	1.0894	1.0894	3.1523	2.4640
C4	1.5499	2.1375	2.1375		1.5499	2.3711	2.3711	3.1523	2.4640	2.4640	3.1523	1.0894	1.0894
C5	1.8754	1.5499	1.5499	1.5499		2.9624	1.0870	2.2557	2.2557	2.2557	2.2557	2.2557	2.2557
H6	1.0870	2.3711	2.3711	2.3711	2.9624		4.0493	2.8824	2.8824	2.8824	2.8824	2.8824	2.8824
H7	2.9624	2.3711	2.3711	2.3711	1.0870	4.0493		2.8824	2.8824	2.8824	2.8824	2.8824	2.8824
H8	2.2557	1.0894	2.4640	3.1523	2.2557	2.8824	2.8824		1.8087	3.5534	2.2852	3.5534	4.0938
H9	2.2557	1.0894	3.1523	2.4640	2.2557	2.8824	2.8824	1.8087		4.0938	3.5534	2.2852	3.5534
H10	2.2557	3.1523	1.0894	2.4640	2.2557	2.8824	2.8824	3.5534	4.0938		1.8087	3.5534	2.2852
H11	2.2557	2.4640	1.0894	3.1523	2.2557	2.8824	2.8824	2.2852	3.5534	1.8087		4.0938	3.5534
H12	2.2557	2.4640	3.1523	1.0894	2.2557	2.8824	2.8824	3.5534	2.2852	3.5534	4.0938		1.8087
H13	2.2557	3.1523	2.4640	1.0894	2.2557	2.8824	2.8824	4.0938	3.5534	2.2852	3.5534	1.8087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.458	C1	C2	H8	116.355
C1	C2	H9	116.355	C1	C3	C5	74.458
C1	C3	H10	116.355	C1	C3	H11	116.355
C1	C4	C5	74.458	C1	C4	H12	116.355
C1	C4	H13	116.355	C2	C1	C3	87.189
C2	C1	C4	87.189	C2	C1	H6	127.229
C2	C5	C3	87.189	C2	C5	C4	87.189
C2	C5	H7	127.229	C3	C1	C4	87.189
C3	C1	H6	127.229	C3	C5	C4	87.189
C3	C5	H7	127.229	C4	C1	H6	127.229
C4	C5	H7	127.229	C5	C2	H8	116.355
C5	C2	H9	116.355	C5	C3	H10	116.355
C5	C3	H11	116.355	C5	C4	H12	116.355
C5	C4	H13	116.355	H8	C2	H9	112.228
H10	C3	H11	112.228	H12	C4	H13	112.228

All results from a given calculation for C₅H₈ (Bicyclo[1.1.1]pentane)

using model chemistry: MP2/Def2TZVPP

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 (Bicyclo[1.1.1]pentane)

using model chemistry: MP2/Def2TZVPP

States and conformations

All results from a given calculation for C₅H₈ (Bicyclo[1.1.1]pentane)