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	hartrees
Energy at 0K	-193.855785
Energy at 298.15K	-193.865293
Nuclear repulsion energy	175.508249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3416	3074	51.43
2	A'	3400	3059	4.16
3	A'	3310	2978	106.18
4	A'	3302	2972	22.07
5	A'	3243	2919	83.17
6	A'	1656	1490	2.07
7	A'	1631	1468	6.39
8	A'	1482	1334	1.00
9	A'	1380	1242	2.84
10	A'	1318	1186	1.38
11	A'	1231	1107	0.64
12	A'	1128	1015	0.29
13	A'	1049	944	8.08
14	A'	1041	937	4.05
15	A'	982	884	2.79
16	A'	860	774	6.56
17	A'	837	753	15.12
18	A'	456	410	0.70
19	A"	3394	3054	26.07
20	A"	3288	2958	0.10
21	A"	3227	2904	78.05
22	A"	1635	1471	1.78
23	A"	1439	1295	7.40
24	A"	1409	1268	0.17
25	A"	1337	1203	0.18
26	A"	1256	1130	2.43
27	A"	1234	1110	1.35
28	A"	1183	1065	3.88
29	A"	1069	962	5.38
30	A"	1027	924	0.00
31	A"	841	757	30.22
32	A"	781	703	0.94
33	A"	300	270	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	-0.250	-0.543	0.768
C2	-0.250	-0.543	-0.768
C3	-0.250	0.998	0.786
C4	-0.250	0.998	-0.786
C5	0.956	-1.048	0.000
H6	-0.793	-1.169	1.446
H7	-0.793	-1.169	-1.446
H8	0.599	1.462	1.273
H9	0.599	1.462	-1.273
H10	-1.157	1.420	1.196
H11	-1.157	1.420	-1.196
H12	1.871	-0.482	0.000
H13	1.104	-2.112	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5358	1.5416	2.1890	1.5165	1.0699	2.3634	2.2355	2.9844	2.2052	2.9218	2.2565	2.2102
C2	1.5358		2.1890	1.5416	1.5165	2.3634	1.0699	2.9844	2.2355	2.9218	2.2052	2.2565	2.2102
C3	1.5416	2.1890		1.5725	2.5023	2.3291	3.1578	1.0831	2.2750	1.0812	2.2206	2.7033	3.4821
C4	2.1890	1.5416	1.5725		2.5023	3.1578	2.3291	2.2750	1.0831	2.2206	1.0812	2.7033	3.4821
C5	1.5165	1.5165	2.5023	2.5023		2.2721	2.2721	2.8370	2.8370	3.4629	3.4629	1.0756	1.0738
H6	1.0699	2.3634	2.3291	3.1578	2.2721		2.8917	2.9812	4.0308	2.6267	3.7172	3.1071	2.5649
H7	2.3634	1.0699	3.1578	2.3291	2.2721	2.8917		4.0308	2.9812	3.7172	2.6267	3.1071	2.5649
H8	2.2355	2.9844	1.0831	2.2750	2.8370	2.9812	4.0308		2.5454	1.7584	3.0301	2.6489	3.8271
H9	2.9844	2.2355	2.2750	1.0831	2.8370	4.0308	2.9812	2.5454		3.0301	1.7584	2.6489	3.8271
H10	2.2052	2.9218	1.0812	2.2206	3.4629	2.6267	3.7172	1.7584	3.0301		2.3923	3.7708	4.3616
H11	2.9218	2.2052	2.2206	1.0812	3.4629	3.7172	2.6267	3.0301	1.7584	2.3923		3.7708	4.3616
H12	2.2565	2.2565	2.7033	2.7033	1.0756	3.1071	3.1071	2.6489	2.6489	3.7708	3.7708		1.8006
H13	2.2102	2.2102	3.4821	3.4821	1.0738	2.5649	2.5649	3.8271	3.8271	4.3616	4.3616	1.8006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.683	C1	C2	C5	59.578
C1	C2	H7	129.318	C1	C3	C4	89.317
C1	C3	H8	115.695	C1	C3	H10	113.275
C1	C5	C2	60.844	C1	C5	H12	120.076
C1	C5	H13	116.090	C2	C1	C3	90.683
C2	C1	C5	59.578	C2	C1	H6	129.318
C2	C4	C3	89.317	C2	C4	H9	115.695
C2	C4	H11	113.275	C2	C5	H12	120.076
C2	C5	H13	116.090	C3	C1	C5	109.814
C3	C1	H6	125.233	C3	C4	H9	116.687
C3	C4	H11	112.280	C4	C2	C5	109.814
C4	C2	H7	125.233	C4	C3	H8	116.687
C4	C3	H10	112.280	C5	C1	H6	121.964
C5	C2	H7	121.964	H8	C3	H10	108.675
H9	C4	H11	108.675	H12	C5	H13	113.804

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

using model chemistry: HF/LANL2DZ

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	-0.208
2	C	-0.208
3	C	-0.358
4	C	-0.358
5	C	-0.425
6	H	0.226
7	H	0.226
8	H	0.178
9	H	0.178
10	H	0.180
11	H	0.180
12	H	0.172
13	H	0.219

	x	y	z	Total
	-0.231	0.026	0.000	0.233
CHELPG
AIM
ESP

	x	y	z
x	7.266	0.000	0.141
y	0.000	6.984	0.000
z	0.141	0.000	6.287

<r²>	98.978
(<r²>)^1/2	9.949

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

using model chemistry: HF/LANL2DZ

States and conformations

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