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	hartrees
Energy at 0K	-193.985158
Energy at 298.15K	-193.994648
HF Energy	-193.985158
Nuclear repulsion energy	177.094595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3337	3032	41.49
2	A'	3322	3019	1.12
3	A'	3247	2950	87.97
4	A'	3241	2944	16.67
5	A'	3191	2899	74.42
6	A'	1636	1486	0.96
7	A'	1617	1469	2.06
8	A'	1479	1344	1.36
9	A'	1370	1245	1.13
10	A'	1309	1190	0.12
11	A'	1220	1108	0.49
12	A'	1109	1008	0.02
13	A'	1044	949	4.61
14	A'	1025	931	5.95
15	A'	970	882	0.34
16	A'	844	767	2.21
17	A'	838	761	10.90
18	A'	451	410	0.42
19	A"	3318	3015	29.13
20	A"	3225	2930	1.29
21	A"	3178	2888	66.31
22	A"	1606	1459	0.13
23	A"	1433	1302	5.60
24	A"	1379	1253	0.41
25	A"	1327	1206	0.04
26	A"	1229	1117	0.11
27	A"	1201	1091	1.37
28	A"	1163	1056	1.06
29	A"	1058	961	5.43
30	A"	1015	922	0.03
31	A"	846	768	20.10
32	A"	751	682	0.04
33	A"	291	264	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	-0.245	-0.538	0.757
C2	-0.245	-0.538	-0.757
C3	-0.245	0.989	0.779
C4	-0.245	0.989	-0.779
C5	0.941	-1.035	0.000
H6	-0.789	-1.171	1.433
H7	-0.789	-1.171	-1.433
H8	0.601	1.455	1.272
H9	0.601	1.455	-1.272
H10	-1.157	1.407	1.185
H11	-1.157	1.407	-1.185
H12	1.861	-0.474	0.000
H13	1.076	-2.102	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5134	1.5270	2.1655	1.4923	1.0738	2.3430	2.2258	2.9670	2.1906	2.8957	2.2396	2.1827
C2	1.5134		2.1655	1.5270	1.4923	2.3430	1.0738	2.9670	2.2258	2.8957	2.1906	2.2396	2.1827
C3	1.5270	2.1655		1.5578	2.4719	2.3210	3.1386	1.0848	2.2667	1.0822	2.2052	2.6805	3.4505
C4	2.1655	1.5270	1.5578		2.4719	3.1386	2.3210	2.2667	1.0848	2.2052	1.0822	2.6805	3.4505
C5	1.4923	1.4923	2.4719	2.4719		2.2504	2.2504	2.8166	2.8166	3.4308	3.4308	1.0783	1.0755
H6	1.0738	2.3430	2.3210	3.1386	2.2504		2.8655	2.9756	4.0176	2.6159	3.6924	3.0927	2.5294
H7	2.3430	1.0738	3.1386	2.3210	2.2504	2.8655		4.0176	2.9756	3.6924	2.6159	3.0927	2.5294
H8	2.2258	2.9670	1.0848	2.2667	2.8166	2.9756	4.0176		2.5430	1.7610	3.0212	2.6317	3.8074
H9	2.9670	2.2258	2.2667	1.0848	2.8166	4.0176	2.9756	2.5430		3.0212	1.7610	2.6317	3.8074
H10	2.1906	2.8957	1.0822	2.2052	3.4308	2.6159	3.6924	1.7610	3.0212		2.3700	3.7489	4.3249
H11	2.8957	2.1906	2.2052	1.0822	3.4308	3.6924	2.6159	3.0212	1.7610	2.3700		3.7489	4.3249
H12	2.2396	2.2396	2.6805	2.6805	1.0783	3.0927	3.0927	2.6317	2.6317	3.7489	3.7489		1.8081
H13	2.1827	2.1827	3.4505	3.4505	1.0755	2.5294	2.5294	3.8074	3.8074	4.3249	4.3249	1.8081

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.833	C1	C2	C5	59.532
C1	C2	H7	129.019	C1	C3	C4	89.167
C1	C3	H8	115.875	C1	C3	H10	113.080
C1	C5	C2	60.935	C1	C5	H12	120.355
C1	C5	H13	115.468	C2	C1	C3	90.833
C2	C1	C5	59.532	C2	C1	H6	129.019
C2	C4	C3	89.167	C2	C4	H9	115.875
C2	C4	H11	113.080	C2	C5	H12	120.355
C2	C5	H13	115.468	C3	C1	C5	109.902
C3	C1	H6	125.451	C3	C4	H9	117.009
C3	C4	H11	112.040	C4	C2	C5	109.902
C4	C2	H7	125.451	C4	C3	H8	117.009
C4	C3	H10	112.040	C5	C1	H6	121.705
C5	C2	H7	121.705	H8	C3	H10	108.714
H9	C4	H11	108.714	H12	C5	H13	114.177

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

using model chemistry: HF/TZVP

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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Number	Element	Mulliken
1	C	-0.010
2	C	-0.010
3	C	-0.235
4	C	-0.235
5	C	-0.334
6	H	0.141
7	H	0.141
8	H	0.079
9	H	0.079
10	H	0.092
11	H	0.092
12	H	0.089
13	H	0.112

	x	y	z	Total
	-0.244	-0.040	0.000	0.247
CHELPG
AIM
ESP

	x	y	z
x	7.218	-0.371	0.000
y	-0.371	7.778	0.000
z	0.000	0.000	7.459

<r²>	97.386
(<r²>)^1/2	9.868

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

using model chemistry: HF/TZVP

States and conformations

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