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	hartrees
Energy at 0K	-194.744926
Energy at 298.15K	-194.753445
HF Energy	-193.975002
Nuclear repulsion energy	167.905236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	3014	40.16
2	A'	3176	3008	6.67
3	A'	3153	2986	11.39
4	A'	3111	2947	39.96
5	A'	3089	2926	10.35
6	A'	1754	1661	14.40
7	A'	1541	1459	0.22
8	A'	1515	1435	4.53
9	A'	1455	1378	1.46
10	A'	1272	1205	1.72
11	A'	1239	1174	0.07
12	A'	1099	1041	0.96
13	A'	998	946	0.67
14	A'	915	866	0.19
15	A'	850	805	49.63
16	A'	764	724	2.54
17	A'	670	635	1.79
18	A'	379	359	6.27
19	A'	125	119	0.37
20	A"	3272	3099	10.20
21	A"	3157	2990	18.22
22	A"	3087	2923	39.84
23	A"	1500	1420	6.00
24	A"	1295	1226	0.04
25	A"	1265	1198	0.34
26	A"	1215	1151	1.26
27	A"	1197	1134	2.68
28	A"	1059	1003	0.24
29	A"	949	898	1.81
30	A"	926	877	0.34
31	A"	827	783	0.20
32	A"	661	626	0.12
33	A"	351	332	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.245	-0.412	1.086
C2	0.245	-0.412	-1.086
C3	0.000	0.621	0.000
C4	-0.013	-1.494	0.000
C5	-0.477	1.866	0.000
H6	-0.402	-0.392	1.966
H7	-0.402	-0.392	-1.966
H8	1.291	-0.416	1.410
H9	1.291	-0.416	-1.410
H10	-0.676	2.393	0.928
H11	-0.676	2.393	-0.928
H12	0.633	-2.375	0.000
H13	-1.058	-1.810	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1715	1.5186	1.5539	2.6253	1.0928	3.1197	1.0954	2.7066	2.9572	3.5742	2.2758	2.1979
C2	2.1715		1.5186	1.5539	2.6253	3.1197	1.0928	2.7066	1.0954	3.5742	2.9572	2.2758	2.1979
C3	1.5186	1.5186		2.1145	1.3337	2.2478	2.2478	2.1749	2.1749	2.1119	2.1119	3.0614	2.6514
C4	1.5539	1.5539	2.1145		3.3919	2.2870	2.2870	2.2026	2.2026	4.0510	4.0510	1.0920	1.0921
C5	2.6253	2.6253	1.3337	3.3919		2.9951	2.9951	3.2128	3.2128	1.0856	1.0856	4.3836	3.7223
H6	1.0928	3.1197	2.2478	2.2870	2.9951		3.9319	1.7825	3.7774	2.9852	4.0259	2.9777	2.5112
H7	3.1197	1.0928	2.2478	2.2870	2.9951	3.9319		3.7774	1.7825	4.0259	2.9852	2.9777	2.5112
H8	1.0954	2.7066	2.1749	2.2026	3.2128	1.7825	3.7774		2.8209	3.4631	4.1506	2.5020	3.0745
H9	2.7066	1.0954	2.1749	2.2026	3.2128	3.7774	1.7825	2.8209		4.1506	3.4631	2.5020	3.0745
H10	2.9572	3.5742	2.1119	4.0510	1.0856	2.9852	4.0259	3.4631	4.1506		1.8558	5.0306	4.3219
H11	3.5742	2.9572	2.1119	4.0510	1.0856	4.0259	2.9852	4.1506	3.4631	1.8558		5.0306	4.3219
H12	2.2758	2.2758	3.0614	1.0920	4.3836	2.9777	2.9777	2.5020	2.5020	5.0306	5.0306		1.7823
H13	2.1979	2.1979	2.6514	1.0921	3.7223	2.5112	2.5112	3.0745	3.0745	4.3219	4.3219	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.283	C1	C3	C5	133.866
C1	C4	C2	88.651	C1	C4	H12	117.602
C1	C4	H13	111.131	C2	C3	C5	133.866
C2	C4	H12	117.602	C2	C4	H13	111.131
C3	C1	C4	86.968	C3	C1	H6	117.887
C3	C1	H8	111.590	C3	C2	C4	86.968
C3	C2	H7	117.887	C3	C2	H9	111.590
C3	C5	H10	121.267	C3	C5	H11	121.267
C4	C1	H6	118.520	C4	C1	H8	111.308
C4	C2	H7	118.520	C4	C2	H9	111.308
H6	C1	H8	109.093	H7	C2	H9	109.093
H10	C5	H11	117.466	H12	C4	H13	109.375

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G*

States and conformations

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