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	hartrees
Energy at 0K	-194.623245
Energy at 298.15K	-194.632484
HF Energy	-193.925821
Nuclear repulsion energy	175.817354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3075	27.02
2	A'	3214	3061	4.79
3	A'	3142	2992	54.87
4	A'	3136	2986	15.03
5	A'	3082	2935	51.06
6	A'	1561	1486	0.72
7	A'	1537	1464	2.18
8	A'	1413	1345	0.56
9	A'	1292	1230	1.18
10	A'	1245	1185	0.20
11	A'	1161	1106	0.45
12	A'	1062	1011	0.01
13	A'	1009	961	2.99
14	A'	977	930	7.44
15	A'	936	892	0.23
16	A'	811	772	0.54
17	A'	805	766	7.73
18	A'	425	405	0.55
19	A"	3207	3054	21.49
20	A"	3125	2976	0.34
21	A"	3073	2927	44.84
22	A"	1534	1461	0.09
23	A"	1350	1286	4.47
24	A"	1297	1235	1.25
25	A"	1252	1192	0.02
26	A"	1160	1105	0.02
27	A"	1120	1067	3.49
28	A"	1092	1039	0.28
29	A"	1022	973	3.86
30	A"	963	917	0.15
31	A"	821	782	14.05
32	A"	703	669	0.09
33	A"	268	255	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.247	-0.540	0.765
C2	-0.247	-0.540	-0.765
C3	-0.247	0.993	0.782
C4	-0.247	0.993	-0.782
C5	0.946	-1.042	0.000
H6	-0.799	-1.181	1.449
H7	-0.799	-1.181	-1.449
H8	0.611	1.465	1.281
H9	0.611	1.465	-1.281
H10	-1.168	1.419	1.194
H11	-1.168	1.419	-1.194
H12	1.878	-0.473	0.000
H13	1.083	-2.122	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5290	1.5325	2.1771	1.5028	1.0880	2.3693	2.2406	2.9894	2.2071	2.9193	2.2591	2.2038
C2	1.5290		2.1771	1.5325	1.5028	2.3693	1.0880	2.9894	2.2406	2.9193	2.2071	2.2591	2.2038
C3	1.5325	2.1771		1.5639	2.4844	2.3395	3.1629	1.0985	2.2830	1.0958	2.2215	2.6973	3.4758
C4	2.1771	1.5325	1.5639		2.4844	3.1629	2.3395	2.2830	1.0985	2.2215	1.0958	2.6973	3.4758
C5	1.5028	1.5028	2.4844	2.4844		2.2718	2.2718	2.8349	2.8349	3.4570	3.4570	1.0921	1.0889
H6	1.0880	2.3693	2.3395	3.1629	2.2718		2.8971	3.0024	4.0540	2.6385	3.7255	3.1249	2.5547
H7	2.3693	1.0880	3.1629	2.3395	2.2718	2.8971		4.0540	3.0024	3.7255	2.6385	3.1249	2.5547
H8	2.2406	2.9894	1.0985	2.2830	2.8349	3.0024	4.0540		2.5613	1.7814	3.0479	2.6465	3.8379
H9	2.9894	2.2406	2.2830	1.0985	2.8349	4.0540	3.0024	2.5613		3.0479	1.7814	2.6465	3.8379
H10	2.2071	2.9193	1.0958	2.2215	3.4570	2.6385	3.7255	1.7814	3.0479		2.3878	3.7799	4.3629
H11	2.9193	2.2071	2.2215	1.0958	3.4570	3.7255	2.6385	3.0479	1.7814	2.3878		3.7799	4.3629
H12	2.2591	2.2591	2.6973	2.6973	1.0921	3.1249	3.1249	2.6465	2.6465	3.7799	3.7799		1.8303
H13	2.2038	2.2038	3.4758	3.4758	1.0889	2.5547	2.5547	3.8379	3.8379	4.3629	4.3629	1.8303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.651	C1	C2	C5	59.420
C1	C2	H7	128.955	C1	C3	C4	89.349
C1	C3	H8	115.790	C1	C3	H10	113.177
C1	C5	C2	61.160	C1	C5	H12	120.233
C1	C5	H13	115.573	C2	C1	C3	90.651
C2	C1	C5	59.420	C2	C1	H6	128.955
C2	C4	C3	89.349	C2	C4	H9	115.790
C2	C4	H11	113.177	C2	C5	H12	120.233
C2	C5	H13	115.573	C3	C1	C5	109.870
C3	C1	H6	125.589	C3	C4	H9	117.001
C3	C4	H11	112.083	C4	C2	C5	109.870
C4	C2	H7	125.589	C4	C3	H8	117.001
C4	C3	H10	112.083	C5	C1	H6	121.717
C5	C2	H7	121.717	H8	C3	H10	108.551
H9	C4	H11	108.551	H12	C5	H13	114.115

All results from a given calculation for C₅H₈ (Bicyclo[2.1.0]pentane)

using model chemistry: QCISD/6-31G*

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[2.1.0]pentane)

using model chemistry: QCISD/6-31G*

States and conformations

All results from a given calculation for C₅H₈ (Bicyclo[2.1.0]pentane)