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	hartrees
Energy at 0K	-194.704187
Energy at 298.15K	-194.712655
HF Energy	-193.974841
Nuclear repulsion energy	167.040787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	3003	8.14
2	A'	3131	2998	55.68
3	A'	3104	2972	14.35
4	A'	3072	2941	40.62
5	A'	3052	2922	11.91
6	A'	1763	1687	16.31
7	A'	1538	1473	0.10
8	A'	1509	1445	2.93
9	A'	1451	1390	1.38
10	A'	1280	1226	0.13
11	A'	1238	1185	0.06
12	A'	1101	1054	1.11
13	A'	990	948	0.66
14	A'	904	865	0.01
15	A'	863	826	46.31
16	A'	756	724	1.44
17	A'	667	638	1.60
18	A'	371	355	6.27
19	A'	109	104	0.12
20	A"	3221	3084	14.76
21	A"	3108	2976	18.23
22	A"	3049	2919	47.09
23	A"	1498	1434	4.81
24	A"	1299	1244	0.00
25	A"	1263	1210	0.33
26	A"	1221	1169	0.75
27	A"	1206	1155	2.40
28	A"	1056	1011	0.14
29	A"	945	905	1.54
30	A"	920	881	0.75
31	A"	820	785	0.10
32	A"	652	624	0.07
33	A"	350	335	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.193	-0.425	1.094
C2	0.193	-0.425	-1.094
C3	0.000	0.623	0.000
C4	-0.033	-1.514	0.000
C5	-0.354	1.910	0.000
H6	-0.500	-0.401	1.943
H7	-0.500	-0.401	-1.943
H8	1.222	-0.434	1.477
H9	1.222	-0.434	-1.477
H10	-0.506	2.457	0.929
H11	-0.506	2.457	-0.929
H12	0.648	-2.372	0.000
H13	-1.066	-1.879	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1874	1.5271	1.5600	2.6358	1.0959	3.1144	1.0983	2.7694	2.9702	3.5898	2.2788	2.2125
C2	2.1874		1.5271	1.5600	2.6358	3.1144	1.0959	2.7694	1.0983	3.5898	2.9702	2.2788	2.2125
C3	1.5271	1.5271		2.1377	1.3347	2.2522	2.2522	2.1890	2.1890	2.1172	2.1172	3.0641	2.7200
C4	1.5600	1.5600	2.1377		3.4393	2.2872	2.2872	2.2193	2.2193	4.1060	4.1060	1.0949	1.0956
C5	2.6358	2.6358	1.3347	3.4393		3.0225	3.0225	3.1871	3.1871	1.0889	1.0889	4.3973	3.8555
H6	1.0959	3.1144	2.2522	2.2872	3.0225		3.8853	1.7837	3.8291	3.0325	4.0516	2.9959	2.5059
H7	3.1144	1.0959	2.2522	2.2872	3.0225	3.8853		3.8291	1.7837	4.0516	3.0325	2.9959	2.5059
H8	1.0983	2.7694	2.1890	2.2193	3.1871	1.7837	3.8291		2.9548	3.4118	4.1389	2.5037	3.0833
H9	2.7694	1.0983	2.1890	2.2193	3.1871	3.8291	1.7837	2.9548		4.1389	3.4118	2.5037	3.0833
H10	2.9702	3.5898	2.1172	4.1060	1.0889	3.0325	4.0516	3.4118	4.1389		1.8582	5.0509	4.4700
H11	3.5898	2.9702	2.1172	4.1060	1.0889	4.0516	3.0325	4.1389	3.4118	1.8582		5.0509	4.4700
H12	2.2788	2.2788	3.0641	1.0949	4.3973	2.9959	2.9959	2.5037	2.5037	5.0509	5.0509		1.7834
H13	2.2125	2.2125	2.7200	1.0956	3.8555	2.5059	2.5059	3.0833	3.0833	4.4700	4.4700	1.7834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.484	C1	C3	C5	134.048
C1	C4	C2	89.030	C1	C4	H12	117.179
C1	C4	H13	111.651	C2	C3	C5	134.048
C2	C4	H12	117.179	C2	C4	H13	111.651
C3	C1	C4	87.644	C3	C1	H6	117.389
C3	C1	H8	111.938	C3	C2	C4	87.644
C3	C2	H7	117.389	C3	C2	H9	111.938
C3	C5	H10	121.431	C3	C5	H11	121.431
C4	C1	H6	117.841	C4	C1	H8	112.033
C4	C2	H7	117.841	C4	C2	H9	112.033
H6	C1	H8	108.767	H7	C2	H9	108.767
H10	C5	H11	117.138	H12	C4	H13	109.006

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

using model chemistry: QCISD/6-311G*

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

using model chemistry: QCISD/6-311G*

States and conformations

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