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	hartrees
Energy at 0K	-194.700573
Energy at 298.15K	-194.709073
HF Energy	-193.955260
Nuclear repulsion energy	166.370170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3033	6.61
2	A'	3156	3028	48.41
3	A'	3131	3004	12.43
4	A'	3092	2966	37.97
5	A'	3072	2948	12.79
6	A'	1773	1701	13.00
7	A'	1501	1440	0.10
8	A'	1472	1412	1.92
9	A'	1445	1386	0.98
10	A'	1273	1221	0.60
11	A'	1224	1175	0.11
12	A'	1095	1051	1.01
13	A'	988	948	0.35
14	A'	905	869	0.94
15	A'	898	862	32.20
16	A'	751	720	1.29
17	A'	661	634	1.32
18	A'	375	360	4.94
19	A'	123	118	0.11
20	A"	3254	3122	11.65
21	A"	3135	3008	16.59
22	A"	3069	2945	42.83
23	A"	1463	1403	2.29
24	A"	1298	1246	0.36
25	A"	1256	1205	0.14
26	A"	1221	1171	0.33
27	A"	1198	1150	0.72
28	A"	1042	1000	0.11
29	A"	942	903	0.88
30	A"	920	883	0.84
31	A"	811	778	0.07
32	A"	647	620	0.07
33	A"	348	334	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.205	-0.425	1.097
C2	0.205	-0.425	-1.097
C3	0.000	0.624	0.000
C4	-0.031	-1.516	0.000
C5	-0.382	1.911	0.000
H6	-0.480	-0.403	1.962
H7	-0.480	-0.403	-1.962
H8	1.248	-0.433	1.465
H9	1.248	-0.433	-1.465
H10	-0.545	2.456	0.938
H11	-0.545	2.456	-0.938
H12	0.643	-2.388	0.000
H13	-1.078	-1.866	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1931	1.5319	1.5645	2.6471	1.1037	3.1341	1.1060	2.7653	2.9818	3.6063	2.2908	2.2191
C2	2.1931		1.5319	1.5645	2.6471	3.1341	1.1037	2.7653	1.1060	3.6063	2.9818	2.2908	2.2191
C3	1.5319	1.5319		2.1407	1.3423	2.2657	2.2657	2.1958	2.1958	2.1288	2.1288	3.0808	2.7139
C4	1.5645	1.5645	2.1407		3.4453	2.2998	2.2998	2.2256	2.2256	4.1136	4.1136	1.1026	1.1037
C5	2.6471	2.6471	1.3423	3.4453		3.0353	3.0353	3.2092	3.2092	1.0969	1.0969	4.4203	3.8414
H6	1.1037	3.1341	2.2657	2.2998	3.0353		3.9234	1.7983	3.8374	3.0373	4.0725	3.0088	2.5196
H7	3.1341	1.1037	2.2657	2.2998	3.0353	3.9234		3.8374	1.7983	4.0725	3.0373	3.0088	2.5196
H8	1.1060	2.7653	2.1958	2.2256	3.2092	1.7983	3.8374		2.9290	3.4412	4.1637	2.5166	3.0996
H9	2.7653	1.1060	2.1958	2.2256	3.2092	3.8374	1.7983	2.9290		4.1637	3.4412	2.5166	3.0996
H10	2.9818	3.6063	2.1288	4.1136	1.0969	3.0373	4.0725	3.4412	4.1637		1.8760	5.0756	4.4551
H11	3.6063	2.9818	2.1288	4.1136	1.0969	4.0725	3.0373	4.1637	3.4412	1.8760		5.0756	4.4551
H12	2.2908	2.2908	3.0808	1.1026	4.4203	3.0088	3.0088	2.5166	2.5166	5.0756	5.0756		1.7983
H13	2.2191	2.2191	2.7139	1.1037	3.8414	2.5196	2.5196	3.0996	3.0996	4.4551	4.4551	1.7983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.421	C1	C3	C5	134.037
C1	C4	C2	88.999	C1	C4	H12	117.340
C1	C4	H13	111.372	C2	C3	C5	134.037
C2	C4	H12	117.340	C2	C4	H13	111.372
C3	C1	C4	87.467	C3	C1	H6	117.637
C3	C1	H8	111.677	C3	C2	C4	87.467
C3	C2	H7	117.637	C3	C2	H9	111.677
C3	C5	H10	121.229	C3	C5	H11	121.229
C4	C1	H6	118.041	C4	C1	H8	111.746
C4	C2	H7	118.041	C4	C2	H9	111.746
H6	C1	H8	108.942	H7	C2	H9	108.942
H10	C5	H11	117.543	H12	C4	H13	109.189

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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