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	hartrees
Energy at 0K	-31.966451
Energy at 298.15K	-31.975202
Nuclear repulsion energy	90.368388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	2979	11.87
2	A'	3264	2978	111.78
3	A'	3229	2946	22.50
4	A'	3196	2917	63.47
5	A'	3172	2895	15.15
6	A'	1858	1695	29.61
7	A'	1635	1492	0.14
8	A'	1611	1470	1.76
9	A'	1562	1426	2.03
10	A'	1396	1274	1.93
11	A'	1331	1215	0.33
12	A'	1213	1106	0.23
13	A'	1054	962	73.01
14	A'	1025	935	1.64
15	A'	942	860	0.02
16	A'	804	734	1.16
17	A'	721	658	3.11
18	A'	415	379	11.13
19	A'	69	63	0.01
20	A"	3361	3067	30.09
21	A"	3235	2952	10.32
22	A"	3172	2894	88.23
23	A"	1603	1463	6.99
24	A"	1417	1293	0.24
25	A"	1370	1250	0.19
26	A"	1342	1224	1.43
27	A"	1313	1198	3.06
28	A"	1143	1043	0.06
29	A"	1008	920	2.08
30	A"	979	894	2.57
31	A"	890	812	0.02
32	A"	702	640	0.09
33	A"	381	347	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.111	-0.432	1.105
C2	0.111	-0.432	-1.105
C3	0.000	0.628	0.000
C4	-0.016	-1.538	0.000
C5	-0.206	1.944	0.000
H6	-0.666	-0.414	1.862
H7	-0.666	-0.414	-1.862
H8	1.076	-0.431	1.604
H9	1.076	-0.431	-1.604
H10	-0.293	2.501	0.919
H11	-0.293	2.501	-0.919
H12	0.757	-2.298	0.000
H13	-0.984	-2.028	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.2103	1.5355	1.5686	2.6399	1.0847	3.0671	1.0864	2.8761	2.9667	3.5864	2.2623	2.2281
C2	2.2103		1.5355	1.5686	2.6399	3.0671	1.0847	2.8761	1.0864	3.5864	2.9667	2.2623	2.2281
C3	1.5355	1.5355		2.1662	1.3323	2.2350	2.2350	2.2025	2.2025	2.1066	2.1066	3.0218	2.8318
C4	1.5686	1.5686	2.1662		3.4876	2.2701	2.2701	2.2345	2.2345	4.1514	4.1514	1.0836	1.0843
C5	2.6399	2.6399	1.3323	3.4876		3.0394	3.0394	3.1394	3.1394	1.0777	1.0777	4.3496	4.0472
H6	1.0847	3.0671	2.2350	2.2701	3.0394		3.7236	1.7611	3.8792	3.0859	4.0453	3.0066	2.4842
H7	3.0671	1.0847	2.2350	2.2701	3.0394	3.7236		3.8792	1.7611	4.0453	3.0859	3.0066	2.4842
H8	1.0864	2.8761	2.2025	2.2345	3.1394	1.7611	3.8792		3.2084	3.3073	4.1028	2.4821	3.0604
H9	2.8761	1.0864	2.2025	2.2345	3.1394	3.8792	1.7611	3.2084		4.1028	3.3073	2.4821	3.0604
H10	2.9667	3.5864	2.1066	4.1514	1.0777	3.0859	4.0453	3.3073	4.1028		1.8374	4.9971	4.6718
H11	3.5864	2.9667	2.1066	4.1514	1.0777	4.0453	3.0859	4.1028	3.3073	1.8374		4.9971	4.6718
H12	2.2623	2.2623	3.0218	1.0836	4.3496	3.0066	3.0066	2.4821	2.4821	4.9971	4.9971		1.7614
H13	2.2281	2.2281	2.8318	1.0843	4.0472	2.4842	2.4842	3.0604	3.0604	4.6718	4.6718	1.7614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	92.070	C1	C3	C5	133.893
C1	C4	C2	89.584	C1	C4	H12	115.869
C1	C4	H13	112.982	C2	C3	C5	133.893
C2	C4	H12	115.869	C2	C4	H13	112.982
C3	C1	C4	88.501	C3	C1	H6	116.012
C3	C1	H8	113.181	C3	C2	C4	88.501
C3	C2	H7	116.012	C3	C2	H9	113.181
C3	C5	H10	121.522	C3	C5	H11	121.522
C4	C1	H6	116.452	C4	C1	H8	113.369
C4	C2	H7	116.452	C4	C2	H9	113.369
H6	C1	H8	108.416	H7	C2	H9	108.416
H10	C5	H11	116.955	H12	C4	H13	108.683

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

using model chemistry: HF/CEP-121G

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	-0.400
2	C	-0.400
3	C	0.417
4	C	-0.248
5	C	-0.530
6	H	0.151
7	H	0.151
8	H	0.151
9	H	0.151
10	H	0.144
11	H	0.144
12	H	0.132
13	H	0.137

	x	y	z	Total
	0.061	-0.635	0.000	0.638
CHELPG
AIM
ESP

	x	y	z
x	10.365	0.000	-0.270
y	0.000	7.417	0.000
z	-0.270	0.000	5.824

<r²>	99.072
(<r²>)^1/2	9.953

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

using model chemistry: HF/CEP-121G

States and conformations

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