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	hartrees
Energy at 0K	-194.776957
Energy at 298.15K
HF Energy	-193.929131
Nuclear repulsion energy	180.474353

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3182	2991	0.00
2	A₁'	3122	2934	0.00
3	A₁'	1577	1482	0.00
4	A₁'	1158	1089	0.00
5	A₁'	921	866	0.00
6	A₁"	1028	967	0.00
7	A₂'	3196	3003	0.00
8	A₂'	974	915	0.00
9	A₂"	3178	2987	86.62
10	A₂"	1273	1197	31.88
11	A₂"	887	834	4.38
12	E'	3200	3007	41.06
12	E'	3200	3007	41.06
13	E'	3119	2931	54.02
13	E'	3119	2931	54.02
14	E'	1522	1431	0.26
14	E'	1522	1431	0.26
15	E'	1294	1216	2.00
15	E'	1294	1216	2.00
16	E'	1134	1066	0.30
16	E'	1134	1066	0.30
17	E'	949	892	0.26
17	E'	949	892	0.26
18	E'	551	518	0.28
18	E'	551	518	0.28
19	E"	1235	1160	0.00
19	E"	1235	1160	0.00
20	E"	1171	1101	0.00
20	E"	1171	1101	0.00
21	E"	1049	986	0.00
21	E"	1049	986	0.00
22	E"	837	787	0.00
22	E"	837	787	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.934
C2	0.000	1.230	0.000
C3	1.065	-0.615	0.000
C4	-1.065	-0.615	0.000
C5	0.000	0.000	-0.934
H6	0.000	0.000	2.021
H7	0.000	0.000	-2.021
H8	0.903	1.840	0.000
H9	-0.903	1.840	0.000
H10	1.142	-1.702	0.000
H11	2.045	-0.138	0.000
H12	-2.045	-0.138	0.000
H13	-1.142	-1.702	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5443	1.5443	1.5443	1.8685	1.0872	2.9557	2.2523	2.2523	2.2523	2.2523	2.2523	2.2523
C2	1.5443		2.1298	2.1298	1.5443	2.3661	2.3661	1.0899	1.0899	3.1461	2.4598	2.4598	3.1461
C3	1.5443	2.1298		2.1298	1.5443	2.3661	2.3661	2.4598	3.1461	1.0899	1.0899	3.1461	2.4598
C4	1.5443	2.1298	2.1298		1.5443	2.3661	2.3661	3.1461	2.4598	2.4598	3.1461	1.0899	1.0899
C5	1.8685	1.5443	1.5443	1.5443		2.9557	1.0872	2.2523	2.2523	2.2523	2.2523	2.2523	2.2523
H6	1.0872	2.3661	2.3661	2.3661	2.9557		4.0430	2.8786	2.8786	2.8786	2.8786	2.8786	2.8786
H7	2.9557	2.3661	2.3661	2.3661	1.0872	4.0430		2.8786	2.8786	2.8786	2.8786	2.8786	2.8786
H8	2.2523	1.0899	2.4598	3.1461	2.2523	2.8786	2.8786		1.8064	3.5496	2.2831	3.5496	4.0895
H9	2.2523	1.0899	3.1461	2.4598	2.2523	2.8786	2.8786	1.8064		4.0895	3.5496	2.2831	3.5496
H10	2.2523	3.1461	1.0899	2.4598	2.2523	2.8786	2.8786	3.5496	4.0895		1.8064	3.5496	2.2831
H11	2.2523	2.4598	1.0899	3.1461	2.2523	2.8786	2.8786	2.2831	3.5496	1.8064		4.0895	3.5496
H12	2.2523	2.4598	3.1461	1.0899	2.2523	2.8786	2.8786	3.5496	2.2831	3.5496	4.0895		1.8064
H13	2.2523	3.1461	2.4598	1.0899	2.2523	2.8786	2.8786	4.0895	3.5496	2.2831	3.5496	1.8064

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.453	C1	C2	H8	116.463
C1	C2	H9	116.463	C1	C3	C5	74.453
C1	C3	H10	116.463	C1	C3	H11	116.463
C1	C4	C5	74.453	C1	C4	H12	116.463
C1	C4	H13	116.463	C2	C1	C3	87.193
C2	C1	C4	87.193	C2	C1	H6	127.226
C2	C5	C3	87.193	C2	C5	C4	87.193
C2	C5	H7	127.226	C3	C1	C4	87.193
C3	C1	H6	127.226	C3	C5	C4	87.193
C3	C5	H7	127.226	C4	C1	H6	127.226
C4	C5	H7	127.226	C5	C2	H8	116.463
C5	C2	H9	116.463	C5	C3	H10	116.463
C5	C3	H11	116.463	C5	C4	H12	116.463
C5	C4	H13	116.463	H8	C2	H9	111.936
H10	C3	H11	111.936	H12	C4	H13	111.936

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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: MP2=FULL/6-31G(2df,p)

States and conformations

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