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	hartrees
Energy at 0K	-193.324971
Energy at 298.15K
HF Energy	-192.823255
Nuclear repulsion energy	175.887793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3166	3029	0.00
2	A₁'	3073	2939	0.00
3	A₁'	1589	1520	0.00
4	A₁'	1120	1071	0.00
5	A₁'	945	904	0.00
6	A₁"	1027	982	0.00
7	A₂'	3135	2998	0.00
8	A₂'	962	920	0.00
9	A₂"	3153	3016	71.15
10	A₂"	1266	1211	35.11
11	A₂"	800	765	5.55
12	E'	3142	3006	43.47
12	E'	3142	3006	43.47
13	E'	3067	2933	46.08
13	E'	3067	2933	46.08
14	E'	1549	1482	0.65
14	E'	1549	1482	0.65
15	E'	1263	1208	2.25
15	E'	1263	1208	2.25
16	E'	1120	1071	0.07
16	E'	1120	1071	0.07
17	E'	872	834	0.96
17	E'	872	834	0.96
18	E'	552	528	0.14
18	E'	552	528	0.14
19	E"	1265	1210	0.00
19	E"	1265	1210	0.00
20	E"	1168	1117	0.00
20	E"	1168	1117	0.00
21	E"	1074	1028	0.00
21	E"	1074	1028	0.00
22	E"	749	716	0.00
22	E"	749	716	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.971
C2	0.000	1.266	0.000
C3	1.097	-0.633	0.000
C4	-1.097	-0.633	0.000
C5	0.000	0.000	-0.971
H6	0.000	0.000	2.060
H7	0.000	0.000	-2.060
H8	0.913	1.873	0.000
H9	-0.913	1.873	0.000
H10	1.165	-1.727	0.000
H11	2.078	-0.146	0.000
H12	-2.078	-0.146	0.000
H13	-1.165	-1.727	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5956	1.5956	1.5956	1.9415	1.0894	3.0309	2.2984	2.2984	2.2984	2.2984	2.2984	2.2984
C2	1.5956		2.1933	2.1933	1.5956	2.4182	2.4182	1.0960	1.0960	3.2121	2.5126	2.5126	3.2121
C3	1.5956	2.1933		2.1933	1.5956	2.4182	2.4182	2.5126	3.2121	1.0960	1.0960	3.2121	2.5126
C4	1.5956	2.1933	2.1933		1.5956	2.4182	2.4182	3.2121	2.5126	2.5126	3.2121	1.0960	1.0960
C5	1.9415	1.5956	1.5956	1.5956		3.0309	1.0894	2.2984	2.2984	2.2984	2.2984	2.2984	2.2984
H6	1.0894	2.4182	2.4182	2.4182	3.0309		4.1203	2.9300	2.9300	2.9300	2.9300	2.9300	2.9300
H7	3.0309	2.4182	2.4182	2.4182	1.0894	4.1203		2.9300	2.9300	2.9300	2.9300	2.9300	2.9300
H8	2.2984	1.0960	2.5126	3.2121	2.2984	2.9300	2.9300		1.8258	3.6085	2.3307	3.6085	4.1566
H9	2.2984	1.0960	3.2121	2.5126	2.2984	2.9300	2.9300	1.8258		4.1566	3.6085	2.3307	3.6085
H10	2.2984	3.2121	1.0960	2.5126	2.2984	2.9300	2.9300	3.6085	4.1566		1.8258	3.6085	2.3307
H11	2.2984	2.5126	1.0960	3.2121	2.2984	2.9300	2.9300	2.3307	3.6085	1.8258		4.1566	3.6085
H12	2.2984	2.5126	3.2121	1.0960	2.2984	2.9300	2.9300	3.6085	2.3307	3.6085	4.1566		1.8258
H13	2.2984	3.2121	2.5126	1.0960	2.2984	2.9300	2.9300	4.1566	3.6085	2.3307	3.6085	1.8258

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.947	C1	C2	H8	116.048
C1	C2	H9	116.048	C1	C3	C5	74.947
C1	C3	H10	116.048	C1	C3	H11	116.048
C1	C4	C5	74.947	C1	C4	H12	116.048
C1	C4	H13	116.048	C2	C1	C3	86.835
C2	C1	C4	86.835	C2	C1	H6	127.474
C2	C5	C3	86.835	C2	C5	C4	86.835
C2	C5	H7	127.474	C3	C1	C4	86.835
C3	C1	H6	127.474	C3	C5	C4	86.835
C3	C5	H7	127.474	C4	C1	H6	127.474
C4	C5	H7	127.474	C5	C2	H8	116.048
C5	C2	H9	116.048	C5	C3	H10	116.048
C5	C3	H11	116.048	C5	C4	H12	116.048
C5	C4	H13	116.048	H8	C2	H9	112.812
H10	C3	H11	112.812	H12	C4	H13	112.812

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

using model chemistry: CCD/3-21G*

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: CCD/3-21G*

States and conformations

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