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	hartrees
Energy at 0K	-194.582326
Energy at 298.15K
HF Energy	-193.905024
Nuclear repulsion energy	179.974547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3165	2982	0.00
2	A₁'	3111	2932	0.00
3	A₁'	1606	1514	0.00
4	A₁'	1165	1097	0.00
5	A₁'	930	876	0.00
6	A₁"	1023	964	0.00
7	A₂'	3179	2995	0.00
8	A₂'	1000	942	0.00
9	A₂"	3161	2978	106.40
10	A₂"	1293	1218	36.62
11	A₂"	882	831	4.63
12	E'	3183	2999	54.55
12	E'	3183	2999	54.55
13	E'	3108	2929	60.35
13	E'	3108	2929	60.35
14	E'	1555	1465	0.15
14	E'	1555	1465	0.15
15	E'	1296	1221	2.32
15	E'	1296	1221	2.32
16	E'	1147	1081	0.23
16	E'	1147	1081	0.23
17	E'	940	886	0.45
17	E'	940	886	0.45
18	E'	564	532	0.26
18	E'	564	532	0.26
19	E"	1247	1175	0.00
19	E"	1247	1175	0.00
20	E"	1177	1109	0.00
20	E"	1177	1109	0.00
21	E"	1053	992	0.00
21	E"	1053	992	0.00
22	E"	830	782	0.00
22	E"	830	782	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.936
C2	0.000	1.232	0.000
C3	1.067	-0.616	0.000
C4	-1.067	-0.616	0.000
C5	0.000	0.000	-0.936
H6	0.000	0.000	2.030
H7	0.000	0.000	-2.030
H8	0.905	1.849	0.000
H9	-0.905	1.849	0.000
H10	1.148	-1.708	0.000
H11	2.053	-0.141	0.000
H12	-2.053	-0.141	0.000
H13	-1.148	-1.708	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5472	1.5472	1.5472	1.8716	1.0938	2.9653	2.2610	2.2610	2.2610	2.2610	2.2610	2.2610
C2	1.5472		2.1341	2.1341	1.5472	2.3743	2.3743	1.0950	1.0950	3.1565	2.4700	2.4700	3.1565
C3	1.5472	2.1341		2.1341	1.5472	2.3743	2.3743	2.4700	3.1565	1.0950	1.0950	3.1565	2.4700
C4	1.5472	2.1341	2.1341		1.5472	2.3743	2.3743	3.1565	2.4700	2.4700	3.1565	1.0950	1.0950
C5	1.8716	1.5472	1.5472	1.5472		2.9653	1.0938	2.2610	2.2610	2.2610	2.2610	2.2610	2.2610
H6	1.0938	2.3743	2.3743	2.3743	2.9653		4.0591	2.8906	2.8906	2.8906	2.8906	2.8906	2.8906
H7	2.9653	2.3743	2.3743	2.3743	1.0938	4.0591		2.8906	2.8906	2.8906	2.8906	2.8906	2.8906
H8	2.2610	1.0950	2.4700	3.1565	2.2610	2.8906	2.8906		1.8099	3.5650	2.2970	3.5650	4.1069
H9	2.2610	1.0950	3.1565	2.4700	2.2610	2.8906	2.8906	1.8099		4.1069	3.5650	2.2970	3.5650
H10	2.2610	3.1565	1.0950	2.4700	2.2610	2.8906	2.8906	3.5650	4.1069		1.8099	3.5650	2.2970
H11	2.2610	2.4700	1.0950	3.1565	2.2610	2.8906	2.8906	2.2970	3.5650	1.8099		4.1069	3.5650
H12	2.2610	2.4700	3.1565	1.0950	2.2610	2.8906	2.8906	3.5650	2.2970	3.5650	4.1069		1.8099
H13	2.2610	3.1565	2.4700	1.0950	2.2610	2.8906	2.8906	4.1069	3.5650	2.2970	3.5650	1.8099

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.432	C1	C2	H8	116.638
C1	C2	H9	116.638	C1	C3	C5	74.432
C1	C3	H10	116.638	C1	C3	H11	116.638
C1	C4	C5	74.432	C1	C4	H12	116.638
C1	C4	H13	116.638	C2	C1	C3	87.208
C2	C1	C4	87.208	C2	C1	H6	127.216
C2	C5	C3	87.208	C2	C5	C4	87.208
C2	C5	H7	127.216	C3	C1	C4	87.208
C3	C1	H6	127.216	C3	C5	C4	87.208
C3	C5	H7	127.216	C4	C1	H6	127.216
C4	C5	H7	127.216	C5	C2	H8	116.638
C5	C2	H9	116.638	C5	C3	H10	116.638
C5	C3	H11	116.638	C5	C4	H12	116.638
C5	C4	H13	116.638	H8	C2	H9	111.472
H10	C3	H11	111.472	H12	C4	H13	111.472

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C5H8 (Bicyclo[1.1.1]pentane)

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

States and conformations

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