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	hartrees
Energy at 0K	-193.957382
Energy at 298.15K	-193.966147
Nuclear repulsion energy	167.958496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	2988	8.71
2	A'	3269	2969	70.66
3	A'	3242	2944	16.06
4	A'	3211	2916	49.48
5	A'	3191	2898	15.99
6	A'	1905	1730	25.58
7	A'	1605	1457	0.04
8	A'	1570	1426	2.43
9	A'	1540	1398	1.73
10	A'	1376	1249	3.46
11	A'	1315	1194	0.27
12	A'	1185	1076	0.57
13	A'	1034	938	0.58
14	A'	1018	924	42.56
15	A'	952	865	0.40
16	A'	794	721	1.34
17	A'	712	647	2.04
18	A'	415	377	6.61
19	A'	110	99	0.05
20	A"	3378	3067	14.82
21	A"	3247	2949	18.57
22	A"	3189	2896	58.93
23	A"	1563	1419	3.58
24	A"	1399	1270	0.49
25	A"	1351	1227	0.15
26	A"	1315	1194	0.36
27	A"	1292	1173	0.98
28	A"	1118	1015	0.09
29	A"	991	900	1.10
30	A"	977	887	1.14
31	A"	868	788	0.06
32	A"	688	625	0.07
33	A"	379	344	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.168	-0.424	1.090
C2	0.168	-0.424	-1.090
C3	0.000	0.623	0.000
C4	-0.030	-1.511	0.000
C5	-0.308	1.905	0.000
H6	-0.544	-0.401	1.916
H7	-0.544	-0.401	-1.916
H8	1.180	-0.428	1.502
H9	1.180	-0.428	-1.502
H10	-0.441	2.453	0.925
H11	-0.441	2.453	-0.925
H12	0.673	-2.344	0.000
H13	-1.045	-1.910	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1794	1.5202	1.5521	2.6146	1.0907	3.0886	1.0928	2.7824	2.9449	3.5646	2.2648	2.2063
C2	2.1794		1.5202	1.5521	2.6146	3.0886	1.0907	2.7824	1.0928	3.5646	2.9449	2.2648	2.2063
C3	1.5202	1.5202		2.1343	1.3184	2.2390	2.2390	2.1801	2.1801	2.0975	2.0975	3.0421	2.7401
C4	1.5521	1.5521	2.1343		3.4272	2.2733	2.2733	2.2120	2.2120	4.0913	4.0913	1.0898	1.0907
C5	2.6146	2.6146	1.3184	3.4272		3.0065	3.0065	3.1484	3.1484	1.0837	1.0837	4.3604	3.8854
H6	1.0907	3.0886	2.2390	2.2733	3.0065		3.8312	1.7731	3.8280	3.0219	4.0277	2.9880	2.4898
H7	3.0886	1.0907	2.2390	2.2733	3.0065	3.8312		3.8280	1.7731	4.0277	3.0219	2.9880	2.4898
H8	1.0928	2.7824	2.1801	2.2120	3.1484	1.7731	3.8280		3.0042	3.3556	4.1012	2.4865	3.0664
H9	2.7824	1.0928	2.1801	2.2120	3.1484	3.8280	1.7731	3.0042		4.1012	3.3556	2.4865	3.0664
H10	2.9449	3.5646	2.0975	4.0913	1.0837	3.0219	4.0277	3.3556	4.1012		1.8507	5.0105	4.5005
H11	3.5646	2.9449	2.0975	4.0913	1.0837	4.0277	3.0219	4.1012	3.3556	1.8507		5.0105	4.5005
H12	2.2648	2.2648	3.0421	1.0898	4.3604	2.9880	2.9880	2.4865	2.4865	5.0105	5.0105		1.7722
H13	2.2063	2.2063	2.7401	1.0907	3.8854	2.4898	2.4898	3.0664	3.0664	4.5005	4.5005	1.7722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.580	C1	C3	C5	134.045
C1	C4	C2	89.188	C1	C4	H12	116.934
C1	C4	H13	112.015	C2	C3	C5	134.045
C2	C4	H12	116.934	C2	C4	H13	112.015
C3	C1	C4	87.997	C3	C1	H6	117.128
C3	C1	H8	112.051	C3	C2	C4	87.997
C3	C2	H7	117.128	C3	C2	H9	112.051
C3	C5	H10	121.362	C3	C5	H11	121.362
C4	C1	H6	117.607	C4	C1	H8	112.349
C4	C2	H7	117.607	C4	C2	H9	112.349
H6	C1	H8	108.592	H7	C2	H9	108.592
H10	C5	H11	117.276	H12	C4	H13	108.736

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

using model chemistry: HF/cc-pVDZ

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	CHELPG
1	C	0.041	-0.026
2	C	0.041	-0.027
3	C	-0.291	0.165
4	C	-0.066	0.051
5	C	-0.024	-0.027
6	H	0.040	-0.026
7	H	0.040	0.165
8	H	0.045	0.028
9	H	0.045	0.029
10	H	0.033	-0.152
11	H	0.033	0.180
12	H	0.026	0.180
13	H	0.037	-0.540

	x	y	z	Total
	0.089	-0.536	0.000	0.543
CHELPG
AIM
ESP

	x	y	z
x	5.737	-0.911	0.000
y	-0.911	9.959	0.000
z	0.000	0.000	7.346

<r²>	115.826
(<r²>)^1/2	10.762

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

using model chemistry: HF/cc-pVDZ

States and conformations

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