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	hartrees
Energy at 0K	-195.043693
Energy at 298.15K
HF Energy	-194.831354
Nuclear repulsion energy	167.483691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	3022	8.48
2	A'	3170	3009	45.23
3	A'	3136	2977	18.62
4	A'	3112	2954	40.66
5	A'	3086	2929	11.24
6	A'	1771	1681	14.18
7	A'	1550	1471	0.10
8	A'	1524	1446	1.52
9	A'	1478	1403	0.49
10	A'	1294	1228	0.52
11	A'	1247	1184	0.06
12	A'	1118	1061	0.14
13	A'	989	938	0.29
14	A'	906	860	6.10
15	A'	901	855	35.08
16	A'	762	723	1.83
17	A'	672	638	1.34
18	A'	383	363	4.41
19	A'	108	102	0.03
20	A"	3265	3099	13.68
21	A"	3139	2980	17.19
22	A"	3082	2925	43.86
23	A"	1513	1436	1.72
24	A"	1313	1247	0.18
25	A"	1273	1209	0.04
26	A"	1245	1182	0.92
27	A"	1215	1153	1.96
28	A"	1065	1011	0.12
29	A"	946	898	0.97
30	A"	927	880	0.79
31	A"	829	787	0.13
32	A"	658	625	0.13
33	A"	356	337	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.262	-0.380	1.092
C2	0.262	-0.380	-1.092
C3	-0.115	0.610	0.000
C4	0.262	-1.489	0.000
C5	-0.702	1.804	0.000
H6	-0.431	-0.491	1.931
H7	-0.431	-0.491	-1.931
H8	1.265	-0.197	1.494
H9	1.265	-0.197	-1.494
H10	-0.954	2.314	0.925
H11	-0.954	2.314	-0.925
H12	1.103	-2.186	0.000
H13	-0.669	-2.060	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1833	1.5214	1.5565	2.6253	1.0936	3.1026	1.0957	2.7790	2.9601	3.5780	2.2716	2.2095
C2	2.1833		1.5214	1.5565	2.6253	3.1026	1.0936	2.7790	1.0957	3.5780	2.9601	2.2716	2.2095
C3	1.5214	1.5214		2.1333	1.3305	2.2451	2.2451	2.1879	2.1879	2.1121	2.1121	3.0499	2.7275
C4	1.5565	1.5565	2.1333		3.4319	2.2811	2.2811	2.2149	2.2149	4.0985	4.0985	1.0921	1.0922
C5	2.6253	2.6253	1.3305	3.4319		3.0117	3.0117	3.1790	3.1790	1.0857	1.0857	4.3794	3.8647
H6	1.0936	3.1026	2.2451	2.2811	3.0117		3.8612	1.7754	3.8323	3.0252	4.0368	2.9920	2.4992
H7	3.1026	1.0936	2.2451	2.2811	3.0117	3.8612		3.8323	1.7754	4.0368	3.0252	2.9920	2.4992
H8	1.0957	2.7790	2.1879	2.2149	3.1790	1.7754	3.8323		2.9872	3.3987	4.1326	2.4920	3.0727
H9	2.7790	1.0957	2.1879	2.2149	3.1790	3.8323	1.7754	2.9872		4.1326	3.3987	2.4920	3.0727
H10	2.9601	3.5780	2.1121	4.0985	1.0857	3.0252	4.0368	3.3987	4.1326		1.8503	5.0331	4.4796
H11	3.5780	2.9601	2.1121	4.0985	1.0857	4.0368	3.0252	4.1326	3.3987	1.8503		5.0331	4.4796
H12	2.2716	2.2716	3.0499	1.0921	4.3794	2.9920	2.9920	2.4920	2.4920	5.0331	5.0331		1.7770
H13	2.2095	2.2095	2.7275	1.0922	3.8647	2.4992	2.4992	3.0727	3.0727	4.4796	4.4796	1.7770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.705	C1	C3	C5	133.906
C1	C4	C2	89.076	C1	C4	H12	117.027
C1	C4	H13	111.870	C2	C3	C5	133.906
C2	C4	H12	117.027	C2	C4	H13	111.870
C3	C1	C4	87.748	C3	C1	H6	117.367
C3	C1	H8	112.423	C3	C2	C4	87.748
C3	C2	H7	117.367	C3	C2	H9	112.423
C3	C5	H10	121.558	C3	C5	H11	121.558
C4	C1	H6	117.748	C4	C1	H8	112.092
C4	C2	H7	117.748	C4	C2	H9	112.092
H6	C1	H8	108.377	H7	C2	H9	108.377
H10	C5	H11	116.884	H12	C4	H13	108.887

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

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	C	-0.341
2	C	-0.341
3	C	0.177
4	C	-0.309
5	C	-0.449
6	H	0.162
7	H	0.162
8	H	0.164
9	H	0.164
10	H	0.151
11	H	0.151
12	H	0.150
13	H	0.160

	x	y	z
x	6.036	-1.628	0.000
y	-1.628	8.805	0.000
z	0.000	0.000	7.205

<r²>	115.987
(<r²>)^1/2	10.770

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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