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	hartrees
Energy at 0K	-194.898559
Energy at 298.15K
HF Energy	-193.968756
Nuclear repulsion energy	179.243940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	1113	1078
2	A₁'	3117	3021
3	A₁'	3052	2958
4	A₁'	1547	1499
5	A₁'	1123	1089
6	A₁'	906	878
7	A₁"	1003	972
8	A₂'	3118	3022
9	A₂'	956	926
10	A₂"	3110	3014
11	A₂"	1247	1209
12	A₂"	847	821
12	E'	3122	3026
13	E'	3122	3026
13	E'	3048	2954
14	E'	3048	2954
14	E'	1498	1452
15	E'	1498	1452
15	E'	1261	1222
16	E'	1261	1222
16	E'	1113	1079
17	E'	906	878
17	E'	906	878
18	E'	532	516
18	E'	531	514
19	E"	1212	1175
19	E"	1211	1174
20	E"	1144	1109
20	E"	1144	1109
21	E"	1030	998
21	E"	1029	997
22	E"	792	768
22	E"	792	767

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.942
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	-0.942
H6	0.000	0.000	2.032
H7	0.000	0.000	-2.032
H8	0.906	1.850	0.000
H9	-0.906	1.850	0.000
H10	1.149	-1.709	0.000
H11	2.055	-0.140	0.000
H12	-2.055	-0.140	0.000
H13	-1.149	-1.709	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5572	1.5572	1.5572	1.8844	1.0896	2.9740	2.2649	2.2649	2.2649	2.2649	2.2649	2.2649
C2	1.5572		2.1475	2.1475	1.5572	2.3802	2.3802	1.0921	1.0921	3.1652	2.4753	2.4753	3.1652
C3	1.5572	2.1475		2.1475	1.5572	2.3802	2.3802	2.4753	3.1652	1.0921	1.0921	3.1652	2.4753
C4	1.5572	2.1475	2.1475		1.5572	2.3802	2.3802	3.1652	2.4753	2.4753	3.1652	1.0921	1.0921
C5	1.8844	1.5572	1.5572	1.5572		2.9740	1.0896	2.2649	2.2649	2.2649	2.2649	2.2649	2.2649
H6	1.0896	2.3802	2.3802	2.3802	2.9740		4.0636	2.8931	2.8931	2.8931	2.8931	2.8931	2.8931
H7	2.9740	2.3802	2.3802	2.3802	1.0896	4.0636		2.8931	2.8931	2.8931	2.8931	2.8931	2.8931
H8	2.2649	1.0921	2.4753	3.1652	2.2649	2.8931	2.8931		1.8118	3.5674	2.2979	3.5674	4.1097
H9	2.2649	1.0921	3.1652	2.4753	2.2649	2.8931	2.8931	1.8118		4.1097	3.5674	2.2979	3.5674
H10	2.2649	3.1652	1.0921	2.4753	2.2649	2.8931	2.8931	3.5674	4.1097		1.8118	3.5674	2.2979
H11	2.2649	2.4753	1.0921	3.1652	2.2649	2.8931	2.8931	2.2979	3.5674	1.8118		4.1097	3.5674
H12	2.2649	2.4753	3.1652	1.0921	2.2649	2.8931	2.8931	3.5674	2.2979	3.5674	4.1097		1.8118
H13	2.2649	3.1652	2.4753	1.0921	2.2649	2.8931	2.8931	4.1097	3.5674	2.2979	3.5674	1.8118

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.464	C1	C2	H8	116.400
C1	C2	H9	116.400	C1	C3	C5	74.464
C1	C3	H10	116.400	C1	C3	H11	116.400
C1	C4	C5	74.464	C1	C4	H12	116.400
C1	C4	H13	116.400	C2	C1	C3	87.184
C2	C1	C4	87.184	C2	C1	H6	127.232
C2	C5	C3	87.184	C2	C5	C4	87.184
C2	C5	H7	127.232	C3	C1	C4	87.184
C3	C1	H6	127.232	C3	C5	C4	87.184
C3	C5	H7	127.232	C4	C1	H6	127.232
C4	C5	H7	127.232	C5	C2	H8	116.400
C5	C2	H9	116.400	C5	C3	H10	116.400
C5	C3	H11	116.400	C5	C4	H12	116.400
C5	C4	H13	116.400	H8	C2	H9	112.102
H10	C3	H11	112.102	H12	C4	H13	112.102

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

using model chemistry: MP4/cc-pVTZ

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/cc-pVTZ

States and conformations

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