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	hartrees
Energy at 0K	-193.310242
Energy at 298.15K	-193.318607
HF Energy	-192.861808
Nuclear repulsion energy	165.217885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3042	32.57
2	A'	3164	3010	6.93
3	A'	3162	3008	9.94
4	A'	3131	2979	28.71
5	A'	3111	2959	1.74
6	A'	1736	1651	6.31
7	A'	1583	1506	0.09
8	A'	1561	1485	0.72
9	A'	1522	1448	0.25
10	A'	1295	1232	0.34
11	A'	1262	1200	0.04
12	A'	1118	1064	0.05
13	A'	937	891	20.76
14	A'	935	889	25.99
15	A'	857	815	0.04
16	A'	757	720	2.28
17	A'	673	640	0.52
18	A'	367	349	7.17
19	A'	38	36	0.01
20	A"	3245	3087	10.85
21	A"	3168	3014	1.28
22	A"	3108	2957	34.30
23	A"	1557	1481	3.24
24	A"	1305	1241	0.27
25	A"	1286	1223	0.51
26	A"	1271	1209	0.54
27	A"	1218	1159	4.51
28	A"	1104	1050	0.02
29	A"	908	863	0.05
30	A"	890	847	1.71
31	A"	849	808	0.01
32	A"	660	628	0.02
33	A"	367	349	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.063	-0.434	1.125
C2	0.063	-0.434	-1.125
C3	0.000	0.631	0.000
C4	-0.031	-1.555	0.000
C5	-0.097	1.961	0.000
H6	-0.768	-0.416	1.835
H7	-0.768	-0.416	-1.835
H8	1.015	-0.442	1.664
H9	1.015	-0.442	-1.664
H10	-0.141	2.530	0.925
H11	-0.141	2.530	-0.925
H12	0.787	-2.278	0.000
H13	-0.991	-2.075	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.2490	1.5501	1.5906	2.6505	1.0936	3.0741	1.0945	2.9470	2.9784	3.6099	2.2779	2.2518
C2	2.2490		1.5501	1.5906	2.6505	3.0741	1.0936	2.9470	1.0945	3.6099	2.9784	2.2779	2.2518
C3	1.5501	1.5501		2.1862	1.3333	2.2477	2.2477	2.2252	2.2252	2.1176	2.1176	3.0137	2.8821
C4	1.5906	1.5906	2.1862		3.5163	2.2821	2.2821	2.2595	2.2595	4.1905	4.1905	1.0918	1.0921
C5	2.6505	2.6505	1.3333	3.5163		3.0764	3.0764	3.1271	3.1271	1.0873	1.0873	4.3301	4.1339
H6	1.0936	3.0741	2.2477	2.2821	3.0764		3.6702	1.7914	3.9277	3.1466	4.0854	3.0419	2.4844
H7	3.0741	1.0936	2.2477	2.2821	3.0764	3.6702		3.9277	1.7914	4.0854	3.1466	3.0419	2.4844
H8	1.0945	2.9470	2.2252	2.2595	3.1271	1.7914	3.9277		3.3289	3.2739	4.1081	2.4892	3.0767
H9	2.9470	1.0945	2.2252	2.2595	3.1271	3.9277	1.7914	3.3289		4.1081	3.2739	2.4892	3.0767
H10	2.9784	3.6099	2.1176	4.1905	1.0873	3.1466	4.0854	3.2739	4.1081		1.8499	4.9842	4.7742
H11	3.6099	2.9784	2.1176	4.1905	1.0873	4.0854	3.1466	4.1081	3.2739	1.8499		4.9842	4.7742
H12	2.2779	2.2779	3.0137	1.0918	4.3301	3.0419	3.0419	2.4892	2.4892	4.9842	4.9842		1.7896
H13	2.2518	2.2518	2.8821	1.0921	4.1339	2.4844	2.4844	3.0767	3.0767	4.7742	4.7742	1.7896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	93.014	C1	C3	C5	133.488
C1	C4	C2	89.978	C1	C4	H12	114.981
C1	C4	H13	112.830	C2	C3	C5	133.488
C2	C4	H12	114.981	C2	C4	H13	112.830
C3	C1	C4	88.217	C3	C1	H6	115.388
C3	C1	H8	113.465	C3	C2	C4	88.217
C3	C2	H7	115.388	C3	C2	H9	113.465
C3	C5	H10	121.716	C3	C5	H11	121.716
C4	C1	H6	115.219	C4	C1	H8	113.303
C4	C2	H7	115.219	C4	C2	H9	113.303
H6	C1	H8	109.913	H7	C2	H9	109.913
H10	C5	H11	116.568	H12	C4	H13	110.063

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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