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	hartrees
Energy at 0K	-194.704677
Energy at 298.15K
HF Energy	-193.920102
Nuclear repulsion energy	179.106806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3158	3030
2	A₁'	3157	3029
3	A₁'	3097	2972
4	A₁'	1586	1522
5	A₁'	1138	1092
6	A₁'	922	885
7	A₁"	1003	963
8	A₂'	980	940
9	A₂"	3150	3023
10	A₂"	1273	1222
11	A₂"	853	818
12	E'	3164	3036
12	E'	3164	3036
13	E'	3092	2967
13	E'	3092	2967
14	E'	1538	1476
14	E'	1538	1476
15	E'	1274	1223
15	E'	1274	1223
16	E'	1132	1086
16	E'	1131	1086
17	E'	911	875
17	E'	911	875
18	E'	550	528
18	E'	549	527
19	E"	1230	1180
19	E"	1229	1180
20	E"	1160	1113
20	E"	1160	1113
21	E"	1034	992
21	E"	1034	992
22	E"	801	769
22	E"	801	769

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	2.033
H7	0.000	0.000	-2.033
H8	0.904	1.855	0.000
H9	-0.904	1.855	0.000
H10	1.154	-1.710	0.000
H11	2.058	-0.144	0.000
H12	-2.058	-0.144	0.000
H13	-1.154	-1.710	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5579	1.5579	1.5579	1.8852	1.0908	2.9760	2.2685	2.2685	2.2685	2.2685	2.2685	2.2685
C2	1.5579		2.1485	2.1485	1.5579	2.3819	2.3819	1.0932	1.0932	3.1685	2.4806	2.4806	3.1685
C3	1.5579	2.1485		2.1485	1.5579	2.3819	2.3819	2.4806	3.1685	1.0932	1.0932	3.1685	2.4806
C4	1.5579	2.1485	2.1485		1.5579	2.3819	2.3819	3.1685	2.4806	2.4806	3.1685	1.0932	1.0932
C5	1.8852	1.5579	1.5579	1.5579		2.9760	1.0908	2.2685	2.2685	2.2685	2.2685	2.2685	2.2685
H6	1.0908	2.3819	2.3819	2.3819	2.9760		4.0668	2.8969	2.8969	2.8969	2.8969	2.8969	2.8969
H7	2.9760	2.3819	2.3819	2.3819	1.0908	4.0668		2.8969	2.8969	2.8969	2.8969	2.8969	2.8969
H8	2.2685	1.0932	2.4806	3.1685	2.2685	2.8969	2.8969		1.8087	3.5738	2.3079	3.5738	4.1166
H9	2.2685	1.0932	3.1685	2.4806	2.2685	2.8969	2.8969	1.8087		4.1166	3.5738	2.3079	3.5738
H10	2.2685	3.1685	1.0932	2.4806	2.2685	2.8969	2.8969	3.5738	4.1166		1.8087	3.5738	2.3079
H11	2.2685	2.4806	1.0932	3.1685	2.2685	2.8969	2.8969	2.3079	3.5738	1.8087		4.1166	3.5738
H12	2.2685	2.4806	3.1685	1.0932	2.2685	2.8969	2.8969	3.5738	2.3079	3.5738	4.1166		1.8087
H13	2.2685	3.1685	2.4806	1.0932	2.2685	2.8969	2.8969	4.1166	3.5738	2.3079	3.5738	1.8087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.462	C1	C2	H8	116.572
C1	C2	H9	116.572	C1	C3	C5	74.462
C1	C3	H10	116.572	C1	C3	H11	116.572
C1	C4	C5	74.462	C1	C4	H12	116.572
C1	C4	H13	116.572	C2	C1	C3	87.186
C2	C1	C4	87.186	C2	C1	H6	127.231
C2	C5	C3	87.186	C2	C5	C4	87.186
C2	C5	H7	127.231	C3	C1	C4	87.186
C3	C1	H6	127.231	C3	C5	C4	87.186
C3	C5	H7	127.231	C4	C1	H6	127.231
C4	C5	H7	127.231	C5	C2	H8	116.572
C5	C2	H9	116.572	C5	C3	H10	116.572
C5	C3	H11	116.572	C5	C4	H12	116.572
C5	C4	H13	116.572	H8	C2	H9	111.638
H10	C3	H11	111.638	H12	C4	H13	111.638

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

using model chemistry: CCSD(T)/6-31+G**

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: CCSD(T)/6-31+G**

States and conformations

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