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	hartrees
Energy at 0K	-194.784061
Energy at 298.15K
HF Energy	-193.949443
Nuclear repulsion energy	179.652907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3153	2991	0.00
2	A₁'	3091	2932	0.00
3	A₁'	1570	1489	0.00
4	A₁'	1152	1093	0.00
5	A₁'	918	871	0.00
6	A₁"	1011	959	0.00
7	A₂'	3163	3000	0.00
8	A₂'	980	929	0.00
9	A₂"	3149	2987	112.84
10	A₂"	1266	1201	41.40
11	A₂"	868	824	5.50
12	E'	3167	3005	59.75
12	E'	3167	3005	59.75
13	E'	3087	2929	69.70
13	E'	3087	2929	69.70
14	E'	1519	1441	0.37
14	E'	1519	1441	0.37
15	E'	1273	1207	3.02
15	E'	1273	1207	3.02
16	E'	1128	1070	0.35
16	E'	1128	1070	0.35
17	E'	927	879	0.32
17	E'	927	879	0.32
18	E'	552	523	0.18
18	E'	552	523	0.18
19	E"	1224	1161	0.00
19	E"	1224	1161	0.00
20	E"	1154	1095	0.00
20	E"	1154	1095	0.00
21	E"	1033	980	0.00
21	E"	1033	980	0.00
22	E"	819	777	0.00
22	E"	819	777	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.939
C2	0.000	1.235	0.000
C3	1.070	-0.618	0.000
C4	-1.070	-0.618	0.000
C5	0.000	0.000	-0.939
H6	0.000	0.000	2.031
H7	0.000	0.000	-2.031
H8	0.908	1.847	0.000
H9	-0.908	1.847	0.000
H10	1.145	-1.709	0.000
H11	2.053	-0.137	0.000
H12	-2.053	-0.137	0.000
H13	-1.145	-1.709	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5517	1.5517	1.5517	1.8785	1.0922	2.9707	2.2619	2.2619	2.2619	2.2619	2.2619	2.2619
C2	1.5517		2.1392	2.1392	1.5517	2.3775	2.3775	1.0945	1.0945	3.1594	2.4695	2.4695	3.1594
C3	1.5517	2.1392		2.1392	1.5517	2.3775	2.3775	2.4695	3.1594	1.0945	1.0944	3.1594	2.4695
C4	1.5517	2.1392	2.1392		1.5517	2.3775	2.3775	3.1594	2.4695	2.4695	3.1594	1.0944	1.0945
C5	1.8785	1.5517	1.5517	1.5517		2.9707	1.0922	2.2619	2.2619	2.2619	2.2619	2.2619	2.2619
H6	1.0922	2.3775	2.3775	2.3775	2.9707		4.0630	2.8915	2.8915	2.8915	2.8915	2.8915	2.8915
H7	2.9707	2.3775	2.3775	2.3775	1.0922	4.0630		2.8915	2.8915	2.8915	2.8915	2.8915	2.8915
H8	2.2619	1.0945	2.4695	3.1594	2.2619	2.8915	2.8915		1.8153	3.5639	2.2908	3.5639	4.1061
H9	2.2619	1.0945	3.1594	2.4695	2.2619	2.8915	2.8915	1.8153		4.1061	3.5639	2.2908	3.5639
H10	2.2619	3.1594	1.0945	2.4695	2.2619	2.8915	2.8915	3.5639	4.1061		1.8153	3.5639	2.2908
H11	2.2619	2.4695	1.0944	3.1594	2.2619	2.8915	2.8915	2.2908	3.5639	1.8153		4.1061	3.5639
H12	2.2619	2.4695	3.1594	1.0944	2.2619	2.8915	2.8915	3.5639	2.2908	3.5639	4.1061		1.8153
H13	2.2619	3.1594	2.4695	1.0945	2.2619	2.8915	2.8915	4.1061	3.5639	2.2908	3.5639	1.8153

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.503	C1	C2	H8	116.408
C1	C2	H9	116.408	C1	C3	C5	74.503
C1	C3	H10	116.408	C1	C3	H11	116.408
C1	C4	C5	74.503	C1	C4	H12	116.408
C1	C4	H13	116.408	C2	C1	C3	87.156
C2	C1	C4	87.156	C2	C1	H6	127.252
C2	C5	C3	87.156	C2	C5	C4	87.156
C2	C5	H7	127.252	C3	C1	C4	87.156
C3	C1	H6	127.252	C3	C5	C4	87.156
C3	C5	H7	127.252	C4	C1	H6	127.252
C4	C5	H7	127.252	C5	C2	H8	116.408
C5	C2	H9	116.408	C5	C3	H10	116.408
C5	C3	H11	116.408	C5	C4	H12	116.408
C5	C4	H13	116.408	H8	C2	H9	112.060
H10	C3	H11	112.060	H12	C4	H13	112.060

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

using model chemistry: MP2=FULL/6-311G**

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=FULL/6-311G**

States and conformations

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