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	hartrees
Energy at 0K	-194.773703
Energy at 298.15K
HF Energy	-193.962655
Nuclear repulsion energy	179.071612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3129	3012
2	A₁'	3063	2948
3	A₁'	1569	1510
4	A₁'	1133	1090
5	A₁'	922	888
6	A₁"	992	954
7	A₂'	3123	3006
8	A₂'	971	935
9	A₂"	3123	3006
10	A₂"	1255	1208
11	A₂"	838	807
12	E'	3129	3012
12	E'	3129	3012
13	E'	3058	2943
13	E'	3058	2943
14	E'	1519	1462
14	E'	1518	1462
15	E'	1244	1197
15	E'	1244	1197
16	E'	1120	1078
16	E'	1120	1078
17	E'	893	859
17	E'	893	859
18	E'	549	529
18	E'	549	528
19	E"	1212	1166
19	E"	1211	1166
20	E"	1134	1092
20	E"	1134	1092
21	E"	1009	971
21	E"	1009	971
22	E"	786	757
22	E"	786	757

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.943
C2	0.000	1.241	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	1.151	-1.711	0.000
H11	2.057	-0.141	0.000
H12	-2.057	-0.141	0.000
H13	-1.151	-1.711	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5585	1.5585	1.5585	1.8865	1.0908	2.9773	2.2677	2.2677	2.2677	2.2677	2.2677	2.2677
C2	1.5585		2.1489	2.1489	1.5585	2.3826	2.3826	1.0937	1.0937	3.1683	2.4782	2.4782	3.1683
C3	1.5585	2.1489		2.1489	1.5585	2.3826	2.3826	2.4782	3.1683	1.0937	1.0937	3.1683	2.4782
C4	1.5585	2.1489	2.1489		1.5585	2.3826	2.3826	3.1683	2.4782	2.4782	3.1683	1.0937	1.0937
C5	1.8865	1.5585	1.5585	1.5585		2.9773	1.0908	2.2677	2.2677	2.2677	2.2677	2.2677	2.2677
H6	1.0908	2.3826	2.3826	2.3826	2.9773		4.0682	2.8966	2.8966	2.8966	2.8966	2.8966	2.8966
H7	2.9773	2.3826	2.3826	2.3826	1.0908	4.0682		2.8966	2.8966	2.8966	2.8966	2.8966	2.8966
H8	2.2677	1.0937	2.4782	3.1683	2.2677	2.8966	2.8966		1.8134	3.5719	2.3014	3.5719	4.1149
H9	2.2677	1.0937	3.1683	2.4782	2.2677	2.8966	2.8966	1.8134		4.1149	3.5719	2.3014	3.5719
H10	2.2677	3.1683	1.0937	2.4782	2.2677	2.8966	2.8966	3.5719	4.1149		1.8134	3.5719	2.3014
H11	2.2677	2.4782	1.0937	3.1683	2.2677	2.8966	2.8966	2.3014	3.5719	1.8134		4.1149	3.5719
H12	2.2677	2.4782	3.1683	1.0937	2.2677	2.8966	2.8966	3.5719	2.3014	3.5719	4.1149		1.8134
H13	2.2677	3.1683	2.4782	1.0937	2.2677	2.8966	2.8966	4.1149	3.5719	2.3014	3.5719	1.8134

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.490	C1	C2	H8	116.433
C1	C2	H9	116.433	C1	C3	C5	74.490
C1	C3	H10	116.433	C1	C3	H11	116.433
C1	C4	C5	74.490	C1	C4	H12	116.433
C1	C4	H13	116.433	C2	C1	C3	87.166
C2	C1	C4	87.166	C2	C1	H6	127.245
C2	C5	C3	87.166	C2	C5	C4	87.166
C2	C5	H7	127.245	C3	C1	C4	87.166
C3	C1	H6	127.245	C3	C5	C4	87.166
C3	C5	H7	127.245	C4	C1	H6	127.245
C4	C5	H7	127.245	C5	C2	H8	116.433
C5	C2	H9	116.433	C5	C3	H10	116.433
C5	C3	H11	116.433	C5	C4	H12	116.433
C5	C4	H13	116.433	H8	C2	H9	112.000
H10	C3	H11	112.000	H12	C4	H13	112.000

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

using model chemistry: CCSD(T)/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: CCSD(T)/TZVP

States and conformations

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