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	hartrees
Energy at 0K	-194.673437
Energy at 298.15K	-194.682669
HF Energy	-193.942324
Nuclear repulsion energy	176.576070

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3300	3099	16.31
2	A'	3274	3075	8.74
3	A'	3213	3018	42.54
4	A'	3188	2994	18.55
5	A'	3134	2943	58.21
6	A'	1553	1458	1.04
7	A'	1532	1439	2.15
8	A'	1406	1321	0.90
9	A'	1283	1205	1.53
10	A'	1242	1166	0.13
11	A'	1159	1088	0.92
12	A'	1059	994	0.15
13	A'	1010	949	4.42
14	A'	970	911	6.81
15	A'	932	875	1.13
16	A'	808	759	0.37
17	A'	802	753	11.61
18	A'	422	397	0.46
19	A"	3264	3066	18.26
20	A"	3196	3002	0.19
21	A"	3126	2936	46.98
22	A"	1522	1429	0.27
23	A"	1342	1260	6.82
24	A"	1291	1213	2.01
25	A"	1246	1170	0.00
26	A"	1150	1080	0.19
27	A"	1107	1040	4.51
28	A"	1086	1020	0.57
29	A"	1025	963	5.84
30	A"	958	899	0.44
31	A"	824	774	17.60
32	A"	685	644	0.15
33	A"	258	243	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.247	-0.538	0.764
C2	-0.247	-0.538	-0.764
C3	-0.247	0.987	0.779
C4	-0.247	0.987	-0.779
C5	0.945	-1.033	0.000
H6	-0.789	-1.181	1.442
H7	-0.789	-1.181	-1.442
H8	0.606	1.455	1.275
H9	0.606	1.455	-1.275
H10	-1.164	1.410	1.185
H11	-1.164	1.410	-1.185
H12	1.862	-0.454	0.000
H13	1.086	-2.105	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5282	1.5260	2.1704	1.4990	1.0805	2.3611	2.2271	2.9760	2.1939	2.9043	2.2443	2.1937
C2	1.5282		2.1704	1.5260	1.4990	2.3611	1.0805	2.9760	2.2271	2.9043	2.1939	2.2443	2.1937
C3	1.5260	2.1704		1.5588	2.4712	2.3319	3.1517	1.0913	2.2727	1.0881	2.2086	2.6702	3.4560
C4	2.1704	1.5260	1.5588		2.4712	3.1517	2.3319	2.2727	1.0913	2.2086	1.0881	2.6702	3.4560
C5	1.4990	1.4990	2.4712	2.4712		2.2601	2.2601	2.8152	2.8152	3.4371	3.4371	1.0847	1.0813
H6	1.0805	2.3611	2.3319	3.1517	2.2601		2.8840	2.9873	4.0345	2.6306	3.7087	3.1045	2.5393
H7	2.3611	1.0805	3.1517	2.3319	2.2601	2.8840		4.0345	2.9873	3.7087	2.6306	3.1045	2.5393
H8	2.2271	2.9760	1.0913	2.2727	2.8152	2.9873	4.0345		2.5496	1.7730	3.0308	2.6160	3.8109
H9	2.9760	2.2271	2.2727	1.0913	2.8152	4.0345	2.9873	2.5496		3.0308	1.7730	2.6160	3.8109
H10	2.1939	2.9043	1.0881	2.2086	3.4371	2.6306	3.7087	1.7730	3.0308		2.3697	3.7458	4.3376
H11	2.9043	2.1939	2.2086	1.0881	3.4371	3.7087	2.6306	3.0308	1.7730	2.3697		3.7458	4.3376
H12	2.2443	2.2443	2.6702	2.6702	1.0847	3.1045	3.1045	2.6160	2.6160	3.7458	3.7458		1.8241
H13	2.1937	2.1937	3.4560	3.4560	1.0813	2.5393	2.5393	3.8109	3.8109	4.3376	4.3376	1.8241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.575	C1	C2	C5	59.352
C1	C2	H7	128.855	C1	C3	C4	89.425
C1	C3	H8	115.629	C1	C3	H10	113.058
C1	C5	C2	61.295	C1	C5	H12	119.742
C1	C5	H13	115.512	C2	C1	C3	90.575
C2	C1	C5	59.352	C2	C1	H6	128.855
C2	C4	C3	89.425	C2	C4	H9	115.629
C2	C4	H11	113.058	C2	C5	H12	119.742
C2	C5	H13	115.512	C3	C1	C5	109.558
C3	C1	H6	126.072	C3	C4	H9	116.997
C3	C4	H11	111.876	C4	C2	C5	109.558
C4	C2	H7	126.072	C4	C3	H8	116.997
C4	C3	H10	111.876	C5	C1	H6	121.516
C5	C2	H7	121.516	H8	C3	H10	108.881
H9	C4	H11	108.881	H12	C5	H13	114.744

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

using model chemistry: MP2=FULL/6-31+G**

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: MP2=FULL/6-31+G**

States and conformations

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