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	hartrees
Energy at 0K	-193.318593
Energy at 298.15K	-193.326965
HF Energy	-192.861865
Nuclear repulsion energy	165.256296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3198	3032	32.41
2	A'	3164	3000	6.85
3	A'	3163	2998	9.85
4	A'	3131	2969	28.57
5	A'	3111	2950	1.82
6	A'	1736	1646	6.35
7	A'	1583	1501	0.09
8	A'	1561	1480	0.77
9	A'	1523	1443	0.26
10	A'	1296	1228	0.37
11	A'	1261	1196	0.04
12	A'	1118	1060	0.06
13	A'	937	889	26.87
14	A'	936	887	19.88
15	A'	858	813	0.04
16	A'	756	717	2.29
17	A'	673	638	0.53
18	A'	368	349	7.18
19	A'	41	39	0.01
20	A"	3245	3077	10.80
21	A"	3169	3004	1.44
22	A"	3109	2947	33.98
23	A"	1557	1476	3.28
24	A"	1305	1238	0.27
25	A"	1286	1219	0.51
26	A"	1271	1205	0.56
27	A"	1218	1155	4.50
28	A"	1104	1047	0.02
29	A"	908	860	0.04
30	A"	891	845	1.73
31	A"	849	805	0.01
32	A"	661	626	0.03
33	A"	367	348	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.068	-0.434	1.124
C2	0.068	-0.434	-1.124
C3	0.000	0.631	0.000
C4	-0.033	-1.554	0.000
C5	-0.103	1.960	0.000
H6	-0.759	-0.415	1.840
H7	-0.759	-0.415	-1.840
H8	1.023	-0.443	1.658
H9	1.023	-0.443	-1.658
H10	-0.151	2.529	0.925
H11	-0.151	2.529	-0.925
H12	0.779	-2.284	0.000
H13	-0.997	-2.067	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.2482	1.5497	1.5903	2.6500	1.0934	3.0770	1.0944	2.9415	2.9780	3.6093	2.2785	2.2506
C2	2.2482		1.5497	1.5903	2.6500	3.0770	1.0934	2.9415	1.0944	3.6093	2.9780	2.2785	2.2506
C3	1.5497	1.5497		2.1853	1.3330	2.2480	2.2480	2.2241	2.2241	2.1172	2.1172	3.0167	2.8764
C4	1.5903	1.5903	2.1853		3.5148	2.2825	2.2825	2.2583	2.2583	4.1888	4.1888	1.0917	1.0919
C5	2.6500	2.6500	1.3330	3.5148		3.0745	3.0745	3.1285	3.1285	1.0872	1.0872	4.3342	4.1250
H6	1.0934	3.0770	2.2480	2.2825	3.0745		3.6795	1.7912	3.9254	3.1424	4.0842	3.0402	2.4844
H7	3.0770	1.0934	2.2480	2.2825	3.0745	3.6795		3.9254	1.7912	4.0842	3.1424	3.0402	2.4844
H8	1.0944	2.9415	2.2241	2.2583	3.1285	1.7912	3.9254		3.3158	3.2781	4.1084	2.4895	3.0772
H9	2.9415	1.0944	2.2241	2.2583	3.1285	3.9254	1.7912	3.3158		4.1084	3.2781	2.4895	3.0772
H10	2.9780	3.6093	2.1172	4.1888	1.0872	3.1424	4.0842	3.2781	4.1084		1.8496	4.9884	4.7646
H11	3.6093	2.9780	2.1172	4.1888	1.0872	4.0842	3.1424	4.1084	3.2781	1.8496		4.9884	4.7646
H12	2.2785	2.2785	3.0167	1.0917	4.3342	3.0402	3.0402	2.4895	2.4895	4.9884	4.9884		1.7895
H13	2.2506	2.2506	2.8764	1.0919	4.1250	2.4844	2.4844	3.0772	3.0772	4.7646	4.7646	1.7895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	92.995	C1	C3	C5	133.497
C1	C4	C2	89.958	C1	C4	H12	115.055
C1	C4	H13	112.760	C2	C3	C5	133.497
C2	C4	H12	115.055	C2	C4	H13	112.760
C3	C1	C4	88.197	C3	C1	H6	115.453
C3	C1	H8	113.404	C3	C2	C4	88.197
C3	C2	H7	115.453	C3	C2	H9	113.404
C3	C5	H10	121.717	C3	C5	H11	121.717
C4	C1	H6	115.285	C4	C1	H8	113.239
C4	C2	H7	115.285	C4	C2	H9	113.239
H6	C1	H8	109.918	H7	C2	H9	109.918
H10	C5	H11	116.565	H12	C4	H13	110.068

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

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

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