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	hartrees
Energy at 0K	-194.617844
Energy at 298.15K
HF Energy	-193.905010
Nuclear repulsion energy	179.612921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3178	2982	0.00
2	A₁'	3119	2927	0.00
3	A₁'	1609	1510	0.00
4	A₁'	1166	1094	0.00
5	A₁'	945	887	0.00
6	A₁"	1027	964	0.00
7	A₂'	3176	2980	0.00
8	A₂'	998	936	0.00
9	A₂"	3172	2976	107.69
10	A₂"	1306	1226	34.53
11	A₂"	882	828	5.21
12	E'	3181	2985	58.90
12	E'	3181	2985	58.90
13	E'	3114	2922	63.26
13	E'	3114	2922	63.26
14	E'	1560	1464	0.22
14	E'	1560	1464	0.22
15	E'	1307	1226	1.77
15	E'	1307	1226	1.77
16	E'	1152	1081	0.30
16	E'	1152	1081	0.30
17	E'	938	880	0.68
17	E'	938	880	0.68
18	E'	567	532	0.26
18	E'	567	532	0.26
19	E"	1254	1176	0.00
19	E"	1254	1176	0.00
20	E"	1190	1117	0.00
20	E"	1190	1117	0.00
21	E"	1059	994	0.00
21	E"	1059	994	0.00
22	E"	827	776	0.00
22	E"	827	776	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	0.904	1.852	0.000
H9	-0.904	1.852	0.000
H10	1.152	-1.709	0.000
H11	2.056	-0.143	0.000
H12	-2.056	-0.143	0.000
H13	-1.152	-1.709	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5515	1.5515	1.5515	1.8775	1.0924	2.9699	2.2647	2.2647	2.2647	2.2647	2.2647	2.2647
C2	1.5515		2.1396	2.1396	1.5515	2.3773	2.3773	1.0944	1.0944	3.1616	2.4752	2.4752	3.1616
C3	1.5515	2.1396		2.1396	1.5515	2.3773	2.3773	2.4752	3.1616	1.0944	1.0944	3.1616	2.4752
C4	1.5515	2.1396	2.1396		1.5515	2.3773	2.3773	3.1616	2.4752	2.4752	3.1616	1.0944	1.0944
C5	1.8775	1.5515	1.5515	1.5515		2.9699	1.0924	2.2647	2.2647	2.2647	2.2647	2.2647	2.2647
H6	1.0924	2.3773	2.3773	2.3773	2.9699		4.0622	2.8936	2.8936	2.8936	2.8936	2.8936	2.8936
H7	2.9699	2.3773	2.3773	2.3773	1.0924	4.0622		2.8936	2.8936	2.8936	2.8936	2.8936	2.8936
H8	2.2647	1.0944	2.4752	3.1616	2.2647	2.8936	2.8936		1.8083	3.5697	2.3037	3.5697	4.1119
H9	2.2647	1.0944	3.1616	2.4752	2.2647	2.8936	2.8936	1.8083		4.1119	3.5697	2.3037	3.5697
H10	2.2647	3.1616	1.0944	2.4752	2.2647	2.8936	2.8936	3.5697	4.1119		1.8083	3.5697	2.3037
H11	2.2647	2.4752	1.0944	3.1616	2.2647	2.8936	2.8936	2.3037	3.5697	1.8083		4.1119	3.5697
H12	2.2647	2.4752	3.1616	1.0944	2.2647	2.8936	2.8936	3.5697	2.3037	3.5697	4.1119		1.8083
H13	2.2647	3.1616	2.4752	1.0944	2.2647	2.8936	2.8936	4.1119	3.5697	2.3037	3.5697	1.8083

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.464	C1	C2	H8	116.658
C1	C2	H9	116.658	C1	C3	C5	74.464
C1	C3	H10	116.658	C1	C3	H11	116.658
C1	C4	C5	74.464	C1	C4	H12	116.658
C1	C4	H13	116.658	C2	C1	C3	87.185
C2	C1	C4	87.185	C2	C1	H6	127.232
C2	C5	C3	87.185	C2	C5	C4	87.185
C2	C5	H7	127.232	C3	C1	C4	87.185
C3	C1	H6	127.232	C3	C5	C4	87.185
C3	C5	H7	127.232	C4	C1	H6	127.232
C4	C5	H7	127.232	C5	C2	H8	116.658
C5	C2	H9	116.658	C5	C3	H10	116.658
C5	C3	H11	116.658	C5	C4	H12	116.658
C5	C4	H13	116.658	H8	C2	H9	111.403
H10	C3	H11	111.403	H12	C4	H13	111.403

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

using model chemistry: MP3=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: MP3=FULL/6-31G*

States and conformations

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