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	hartrees
Energy at 0K	-195.225167
Energy at 298.15K	-195.233593
Nuclear repulsion energy	167.568232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3027	9.00
2	A'	3149	3013	41.85
3	A'	3112	2977	19.62
4	A'	3091	2958	41.32
5	A'	3061	2929	10.59
6	A'	1775	1699	19.94
7	A'	1524	1458	0.01
8	A'	1495	1430	1.60
9	A'	1457	1394	0.65
10	A'	1277	1222	0.22
11	A'	1233	1180	0.08
12	A'	1102	1055	0.06
13	A'	990	947	0.46
14	A'	901	862	33.54
15	A'	896	857	11.41
16	A'	756	724	2.30
17	A'	666	637	1.65
18	A'	381	364	5.51
19	A'	93	89	0.02
20	A"	3244	3104	13.61
21	A"	3115	2980	16.67
22	A"	3057	2925	45.27
23	A"	1483	1419	2.87
24	A"	1300	1244	0.16
25	A"	1256	1201	0.12
26	A"	1232	1179	1.43
27	A"	1206	1154	2.64
28	A"	1054	1008	0.12
29	A"	952	911	1.00
30	A"	920	880	0.87
31	A"	818	782	0.14
32	A"	642	615	0.14
33	A"	353	338	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.170	-0.423	1.090
C2	0.170	-0.423	-1.090
C3	0.000	0.620	0.000
C4	-0.016	-1.514	0.000
C5	-0.325	1.908	0.000
H6	-0.548	-0.404	1.918
H7	-0.548	-0.404	-1.918
H8	1.182	-0.426	1.516
H9	1.182	-0.426	-1.516
H10	-0.466	2.460	0.927
H11	-0.466	2.460	-0.927
H12	0.701	-2.340	0.000
H13	-1.029	-1.928	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1803	1.5185	1.5534	2.6210	1.0958	3.0927	1.0980	2.7960	2.9568	3.5756	2.2686	2.2111
C2	2.1803		1.5185	1.5534	2.6210	3.0927	1.0958	2.7960	1.0980	3.5756	2.9568	2.2686	2.2111
C3	1.5185	1.5185		2.1344	1.3287	2.2425	2.2425	2.1888	2.1888	2.1121	2.1121	3.0425	2.7480
C4	1.5534	1.5534	2.1344		3.4366	2.2790	2.2790	2.2173	2.2173	4.1056	4.1056	1.0939	1.0942
C5	2.6210	2.6210	1.3287	3.4366		3.0129	3.0129	3.1656	3.1656	1.0878	1.0878	4.3710	3.9005
H6	1.0958	3.0927	2.2425	2.2790	3.0129		3.8362	1.7756	3.8453	3.0322	4.0381	2.9979	2.4964
H7	3.0927	1.0958	2.2425	2.2790	3.0129	3.8362		3.8453	1.7756	4.0381	3.0322	2.9979	2.4964
H8	1.0980	2.7960	2.1888	2.2173	3.1656	1.7756	3.8453		3.0327	3.3751	4.1248	2.4887	3.0724
H9	2.7960	1.0980	2.1888	2.2173	3.1656	3.8453	1.7756	3.0327		4.1248	3.3751	2.4887	3.0724
H10	2.9568	3.5756	2.1121	4.1056	1.0878	3.0322	4.0381	3.3751	4.1248		1.8539	5.0264	4.5202
H11	3.5756	2.9568	2.1121	4.1056	1.0878	4.0381	3.0322	4.1248	3.3751	1.8539		5.0264	4.5202
H12	2.2686	2.2686	3.0425	1.0939	4.3710	2.9979	2.9979	2.4887	2.4887	5.0264	5.0264		1.7783
H13	2.2111	2.2111	2.7480	1.0942	3.9005	2.4964	2.4964	3.0724	3.0724	4.5202	4.5202	1.7783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.766	C1	C3	C5	133.911
C1	C4	C2	89.136	C1	C4	H12	116.884
C1	C4	H13	112.098	C2	C3	C5	133.911
C2	C4	H12	116.884	C2	C4	H13	112.098
C3	C1	C4	88.019	C3	C1	H6	117.227
C3	C1	H8	112.561	C3	C2	C4	88.019
C3	C2	H7	117.227	C3	C2	H9	112.561
C3	C5	H10	121.551	C3	C5	H11	121.551
C4	C1	H6	117.652	C4	C1	H8	112.356
C4	C2	H7	117.652	C4	C2	H9	112.356
H6	C1	H8	108.073	H7	C2	H9	108.073
H10	C5	H11	116.898	H12	C4	H13	108.726

All results from a given calculation for C₅H₈ (Cyclobutane, methylene-)

using model chemistry: B3PW91/6-31G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken	ESP
1	C	-0.373	-0.119
2	C	-0.373	-0.119
3	C	0.203	0.237
4	C	-0.339	-0.108
5	C	-0.482	-0.677
6	H	0.176	0.059
7	H	0.176	0.059
8	H	0.179	0.060
9	H	0.179	0.060
10	H	0.159	0.222
11	H	0.159	0.222
12	H	0.163	0.047
13	H	0.175	0.059

	x	y	z	Total
	0.086	-0.531	0.000	0.538
CHELPG
AIM
ESP	0.110	-0.528	0.000	0.540

<r²>	115.709
(<r²>)^1/2	10.757

All results from a given calculation for C5H8 (Cyclobutane, methylene-)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₅H₈ (Cyclobutane, methylene-)