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	hartrees
Energy at 0K	-194.674286
Energy at 298.15K	-194.682796
HF Energy	-193.962097
Nuclear repulsion energy	166.845170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3044	36.47
2	A'	3169	3039	7.61
3	A'	3147	3018	8.27
4	A'	3098	2971	39.47
5	A'	3075	2949	12.99
6	A'	1732	1661	18.57
7	A'	1490	1429	0.12
8	A'	1465	1405	2.91
9	A'	1435	1376	0.97
10	A'	1235	1184	0.22
11	A'	1211	1161	0.31
12	A'	1079	1035	1.65
13	A'	980	939	0.49
14	A'	902	865	2.55
15	A'	896	860	40.07
16	A'	746	716	2.10
17	A'	659	632	2.11
18	A'	380	364	6.06
19	A'	139	133	0.51
20	A"	3271	3137	8.71
21	A"	3151	3022	21.24
22	A"	3072	2946	36.59
23	A"	1451	1391	3.69
24	A"	1269	1217	0.03
25	A"	1234	1184	0.22
26	A"	1196	1147	0.28
27	A"	1165	1117	1.11
28	A"	1031	988	0.24
29	A"	925	887	1.48
30	A"	913	876	0.80
31	A"	802	769	0.04
32	A"	647	621	0.09
33	A"	347	333	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.260	-0.410	1.093
C2	0.260	-0.410	-1.093
C3	0.000	0.624	0.000
C4	-0.003	-1.500	0.000
C5	-0.516	1.867	0.000
H6	-0.382	-0.391	1.986
H7	-0.382	-0.391	-1.986
H8	1.320	-0.409	1.400
H9	1.320	-0.409	-1.400
H10	-0.733	2.388	0.937
H11	-0.733	2.388	-0.937
H12	0.643	-2.389	0.000
H13	-1.060	-1.806	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1852	1.5267	1.5653	2.6426	1.1002	3.1447	1.1033	2.7086	2.9731	3.5966	2.2926	2.2097
C2	2.1852		1.5267	1.5653	2.6426	3.1447	1.1002	2.7086	1.1033	3.5966	2.9731	2.2926	2.2097
C3	1.5267	1.5267		2.1236	1.3463	2.2626	2.2626	2.1836	2.1836	2.1277	2.1277	3.0807	2.6504
C4	1.5653	1.5653	2.1236		3.4059	2.3056	2.3056	2.2136	2.2136	4.0649	4.0649	1.0994	1.1002
C5	2.6426	2.6426	1.3463	3.4059		3.0103	3.0103	3.2420	3.2420	1.0937	1.0937	4.4114	3.7129
H6	1.1002	3.1447	2.2626	2.3056	3.0103		3.9716	1.7997	3.7895	2.9909	4.0484	2.9977	2.5305
H7	3.1447	1.1002	2.2626	2.3056	3.0103	3.9716		3.7895	1.7997	4.0484	2.9909	2.9977	2.5305
H8	1.1033	2.7086	2.1836	2.2136	3.2420	1.7997	3.7895		2.8002	3.4999	4.1830	2.5176	3.0941
H9	2.7086	1.1033	2.1836	2.2136	3.2420	3.7895	1.7997	2.8002		4.1830	3.4999	2.5176	3.0941
H10	2.9731	3.5966	2.1277	4.0649	1.0937	2.9909	4.0484	3.4999	4.1830		1.8743	5.0587	4.3091
H11	3.5966	2.9731	2.1277	4.0649	1.0937	4.0484	2.9909	4.1830	3.4999	1.8743		5.0587	4.3091
H12	2.2926	2.2926	3.0807	1.0994	4.4114	2.9977	2.9977	2.5176	2.5176	5.0587	5.0587		1.8005
H13	2.2097	2.2097	2.6504	1.1002	3.7129	2.5305	2.5305	3.0941	3.0941	4.3091	4.3091	1.8005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.397	C1	C3	C5	133.704
C1	C4	C2	88.540	C1	C4	H12	117.650
C1	C4	H13	110.792	C2	C3	C5	133.704
C2	C4	H12	117.650	C2	C4	H13	110.792
C3	C1	C4	86.745	C3	C1	H6	118.023
C3	C1	H8	111.236	C3	C2	C4	86.745
C3	C2	H7	118.023	C3	C2	H9	111.236
C3	C5	H10	121.038	C3	C5	H11	121.038
C4	C1	H6	118.730	C4	C1	H8	110.911
C4	C2	H7	118.730	C4	C2	H9	110.911
H6	C1	H8	109.523	H7	C2	H9	109.523
H10	C5	H11	117.923	H12	C4	H13	109.885

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

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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