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	hartrees
Energy at 0K	-194.774454
Energy at 298.15K
HF Energy	-193.962678
Nuclear repulsion energy	179.117576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3128	3012
2	A₁'	3064	2950
3	A₁'	1567	1509
4	A₁'	1132	1090
5	A₁'	918	884
6	A₁"	990	953
7	A₂'	3129	3013
8	A₂'	971	935
9	A₂"	3123	3007
10	A₂"	1251	1205
11	A₂"	837	806
12	E'	3134	3018
12	E'	3134	3018
13	E'	3059	2946
13	E'	3059	2946
14	E'	1518	1462
14	E'	1517	1461
15	E'	1240	1194
15	E'	1240	1194
16	E'	1119	1077
16	E'	1118	1077
17	E'	893	860
17	E'	893	860
18	E'	549	528
18	E'	548	528
19	E"	1210	1165
19	E"	1209	1165
20	E"	1130	1088
20	E"	1130	1088
21	E"	1007	969
21	E"	1006	969
22	E"	787	757
22	E"	786	757

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.943
C2	0.000	1.240	0.000
C3	1.074	-0.620	0.000
C4	-1.074	-0.620	0.000
C5	0.000	0.000	-0.943
H6	0.000	0.000	2.034
H7	0.000	0.000	-2.034
H8	0.907	1.852	0.000
H9	-0.907	1.852	0.000
H10	1.150	-1.711	0.000
H11	2.057	-0.140	0.000
H12	-2.057	-0.140	0.000
H13	-1.150	-1.711	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5579	1.5579	1.5579	1.8855	1.0912	2.9767	2.2672	2.2672	2.2672	2.2672	2.2672	2.2672
C2	1.5579		2.1483	2.1483	1.5579	2.3823	2.3823	1.0938	1.0938	3.1678	2.4775	2.4775	3.1678
C3	1.5579	2.1483		2.1483	1.5579	2.3823	2.3823	2.4775	3.1678	1.0938	1.0938	3.1678	2.4775
C4	1.5579	2.1483	2.1483		1.5579	2.3823	2.3823	3.1678	2.4775	2.4775	3.1678	1.0938	1.0938
C5	1.8855	1.5579	1.5579	1.5579		2.9767	1.0912	2.2672	2.2672	2.2672	2.2672	2.2672	2.2672
H6	1.0912	2.3823	2.3823	2.3823	2.9767		4.0679	2.8962	2.8962	2.8962	2.8962	2.8962	2.8962
H7	2.9767	2.3823	2.3823	2.3823	1.0912	4.0679		2.8962	2.8962	2.8962	2.8962	2.8962	2.8962
H8	2.2672	1.0938	2.4775	3.1678	2.2672	2.8962	2.8962		1.8139	3.5713	2.3003	3.5713	4.1142
H9	2.2672	1.0938	3.1678	2.4775	2.2672	2.8962	2.8962	1.8139		4.1142	3.5713	2.3003	3.5713
H10	2.2672	3.1678	1.0938	2.4775	2.2672	2.8962	2.8962	3.5713	4.1142		1.8139	3.5713	2.3003
H11	2.2672	2.4775	1.0938	3.1678	2.2672	2.8962	2.8962	2.3003	3.5713	1.8139		4.1142	3.5713
H12	2.2672	2.4775	3.1678	1.0938	2.2672	2.8962	2.8962	3.5713	2.3003	3.5713	4.1142		1.8139
H13	2.2672	3.1678	2.4775	1.0938	2.2672	2.8962	2.8962	4.1142	3.5713	2.3003	3.5713	1.8139

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.476	C1	C2	H8	116.425
C1	C2	H9	116.425	C1	C3	C5	74.476
C1	C3	H10	116.425	C1	C3	H11	116.425
C1	C4	C5	74.476	C1	C4	H12	116.425
C1	C4	H13	116.425	C2	C1	C3	87.176
C2	C1	C4	87.176	C2	C1	H6	127.238
C2	C5	C3	87.176	C2	C5	C4	87.176
C2	C5	H7	127.238	C3	C1	C4	87.176
C3	C1	H6	127.238	C3	C5	C4	87.176
C3	C5	H7	127.238	C4	C1	H6	127.238
C4	C5	H7	127.238	C5	C2	H8	116.425
C5	C2	H9	116.425	C5	C3	H10	116.425
C5	C3	H11	116.425	C5	C4	H12	116.425
C5	C4	H13	116.425	H8	C2	H9	112.027
H10	C3	H11	112.027	H12	C4	H13	112.027

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

using model chemistry: MP4/TZVP

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: MP4/TZVP

States and conformations

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