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	hartrees
Energy at 0K	-194.230437
Energy at 298.15K	-194.238753
Nuclear repulsion energy	165.902048

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3044	31.26
2	A'	3146	3027	6.84
3	A'	3119	3001	15.64
4	A'	3105	2987	33.00
5	A'	3077	2960	1.11
6	A'	1759	1692	15.29
7	A'	1543	1484	0.44
8	A'	1517	1459	0.63
9	A'	1496	1440	0.88
10	A'	1273	1225	0.17
11	A'	1252	1204	0.06
12	A'	1097	1055	0.29
13	A'	944	908	1.73
14	A'	937	902	49.86
15	A'	857	824	0.07
16	A'	742	714	2.87
17	A'	675	650	0.89
18	A'	374	360	7.79
19	A'	32	30	0.02
20	A"	3221	3099	11.69
21	A"	3124	3005	1.54
22	A"	3072	2956	39.33
23	A"	1508	1451	5.47
24	A"	1292	1243	0.63
25	A"	1264	1216	0.59
26	A"	1254	1207	0.81
27	A"	1202	1157	5.42
28	A"	1088	1047	0.02
29	A"	910	875	0.20
30	A"	891	857	1.94
31	A"	825	794	0.02
32	A"	638	614	0.02
33	A"	361	348	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.057	-0.433	1.114
C2	0.057	-0.433	-1.114
C3	0.000	0.632	0.000
C4	-0.012	-1.553	0.000
C5	-0.103	1.953	0.000
H6	-0.784	-0.418	1.813
H7	-0.784	-0.418	-1.813
H8	0.999	-0.429	1.671
H9	0.999	-0.429	-1.671
H10	-0.147	2.521	0.925
H11	-0.147	2.521	-0.925
H12	0.826	-2.251	0.000
H13	-0.956	-2.100	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.2285	1.5423	1.5816	2.6378	1.0935	3.0456	1.0945	2.9404	2.9668	3.5950	2.2673	2.2466
C2	2.2285		1.5423	1.5816	2.6378	3.0456	1.0935	2.9404	1.0945	3.5950	2.9668	2.2673	2.2466
C3	1.5423	1.5423		2.1853	1.3247	2.2370	2.2370	2.2173	2.2173	2.1082	2.1082	2.9994	2.8946
C4	1.5816	1.5816	2.1853		3.5071	2.2742	2.2742	2.2536	2.2536	4.1799	4.1799	1.0908	1.0912
C5	2.6378	2.6378	1.3247	3.5071		3.0612	3.0612	3.1111	3.1111	1.0863	1.0863	4.3055	4.1416
H6	1.0935	3.0456	2.2370	2.2742	3.0612		3.6259	1.7889	3.9139	3.1354	4.0666	3.0400	2.4791
H7	3.0456	1.0935	2.2370	2.2742	3.0612	3.6259		3.9139	1.7889	4.0666	3.1354	3.0400	2.4791
H8	1.0945	2.9404	2.2173	2.2536	3.1111	1.7889	3.9139		3.3423	3.2516	4.0932	2.4787	3.0673
H9	2.9404	1.0945	2.2173	2.2536	3.1111	3.9139	1.7889	3.3423		4.0932	3.2516	2.4787	3.0673
H10	2.9668	3.5950	2.1082	4.1799	1.0863	3.1354	4.0666	3.2516	4.0932		1.8495	4.9575	4.7814
H11	3.5950	2.9668	2.1082	4.1799	1.0863	4.0666	3.1354	4.0932	3.2516	1.8495		4.9575	4.7814
H12	2.2673	2.2673	2.9994	1.0908	4.3055	3.0400	3.0400	2.4787	2.4787	4.9575	4.9575		1.7889
H13	2.2466	2.2466	2.8946	1.0912	4.1416	2.4791	2.4791	3.0673	3.0673	4.7814	4.7814	1.7889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	92.514	C1	C3	C5	133.727
C1	C4	C2	89.578	C1	C4	H12	114.835
C1	C4	H13	113.113	C2	C3	C5	133.727
C2	C4	H12	114.835	C2	C4	H13	113.113
C3	C1	C4	88.770	C3	C1	H6	115.077
C3	C1	H8	113.380	C3	C2	C4	88.770
C3	C2	H7	115.077	C3	C2	H9	113.380
C3	C5	H10	121.645	C3	C5	H11	121.645
C4	C1	H6	115.241	C4	C1	H8	113.476
C4	C2	H7	115.241	C4	C2	H9	113.476
H6	C1	H8	109.693	H7	C2	H9	109.693
H10	C5	H11	116.710	H12	C4	H13	110.133

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

using model chemistry: B3LYP/3-21G*

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
1	C	-0.377
2	C	-0.377
3	C	0.043
4	C	-0.397
5	C	-0.457
6	H	0.202
7	H	0.202
8	H	0.207
9	H	0.207
10	H	0.179
11	H	0.179
12	H	0.191
13	H	0.197

	x	y	z	Total
	0.025	-0.434	0.000	0.435
CHELPG
AIM
ESP

	x	y	z
x	9.219	0.000	0.136
y	0.000	6.922	-0.001
z	0.136	-0.001	4.853

<r²>	118.234
(<r²>)^1/2	10.874

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

using model chemistry: B3LYP/3-21G*

States and conformations

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