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	hartrees
Energy at 0K	-194.695345
Energy at 298.15K	-194.703860
HF Energy	-193.955511
Nuclear repulsion energy	166.477426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3034	5.88
2	A'	3168	3030	45.50
3	A'	3142	3006	12.86
4	A'	3102	2968	36.37
5	A'	3082	2948	11.69
6	A'	1789	1712	9.62
7	A'	1504	1439	0.04
8	A'	1474	1411	2.00
9	A'	1449	1386	1.16
10	A'	1277	1222	0.27
11	A'	1227	1174	0.07
12	A'	1098	1050	0.96
13	A'	992	949	0.41
14	A'	911	871	24.97
15	A'	907	868	7.98
16	A'	754	721	1.38
17	A'	663	634	1.20
18	A'	376	360	5.17
19	A'	122	117	0.12
20	A"	3265	3123	10.88
21	A"	3145	3009	15.48
22	A"	3078	2945	41.45
23	A"	1465	1402	2.52
24	A"	1303	1247	0.33
25	A"	1259	1204	0.16
26	A"	1225	1172	0.37
27	A"	1202	1150	0.74
28	A"	1046	1000	0.12
29	A"	947	906	0.90
30	A"	923	883	0.87
31	A"	814	778	0.07
32	A"	649	621	0.07
33	A"	350	335	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.204	-0.425	1.096
C2	0.204	-0.425	-1.096
C3	0.000	0.625	0.000
C4	-0.030	-1.515	0.000
C5	-0.380	1.909	0.000
H6	-0.482	-0.403	1.960
H7	-0.482	-0.403	-1.960
H8	1.246	-0.433	1.466
H9	1.246	-0.433	-1.466
H10	-0.543	2.454	0.937
H11	-0.543	2.454	-0.937
H12	0.646	-2.386	0.000
H13	-1.075	-1.868	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1925	1.5312	1.5639	2.6440	1.1033	3.1323	1.1057	2.7664	2.9784	3.6030	2.2897	2.2184
C2	2.1925		1.5312	1.5639	2.6440	3.1323	1.1033	2.7664	1.1057	3.6030	2.9784	2.2897	2.2184
C3	1.5312	1.5312		2.1400	1.3397	2.2647	2.2647	2.1955	2.1955	2.1262	2.1262	3.0789	2.7147
C4	1.5639	1.5639	2.1400		3.4424	2.2985	2.2985	2.2249	2.2249	4.1107	4.1107	1.1022	1.1032
C5	2.6440	2.6440	1.3397	3.4424		3.0327	3.0327	3.2059	3.2059	1.0965	1.0965	4.4160	3.8409
H6	1.1033	3.1323	2.2647	2.2985	3.0327		3.9196	1.7975	3.8376	3.0350	4.0694	3.0077	2.5178
H7	3.1323	1.1033	2.2647	2.2985	3.0327	3.9196		3.8376	1.7975	4.0694	3.0350	3.0077	2.5178
H8	1.1057	2.7664	2.1955	2.2249	3.2059	1.7975	3.8376		2.9330	3.4369	4.1607	2.5151	3.0982
H9	2.7664	1.1057	2.1955	2.2249	3.2059	3.8376	1.7975	2.9330		4.1607	3.4369	2.5151	3.0982
H10	2.9784	3.6030	2.1262	4.1107	1.0965	3.0350	4.0694	3.4369	4.1607		1.8750	5.0712	4.4547
H11	3.6030	2.9784	2.1262	4.1107	1.0965	4.0694	3.0350	4.1607	3.4369	1.8750		5.0712	4.4547
H12	2.2897	2.2897	3.0789	1.1022	4.4160	3.0077	3.0077	2.5151	2.5151	5.0712	5.0712		1.7974
H13	2.2184	2.2184	2.7147	1.1032	3.8409	2.5178	2.5178	3.0982	3.0982	4.4547	4.4547	1.7974

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.443	C1	C3	C5	134.025
C1	C4	C2	89.014	C1	C4	H12	117.327
C1	C4	H13	111.391	C2	C3	C5	134.025
C2	C4	H12	117.327	C2	C4	H13	111.391
C3	C1	C4	87.482	C3	C1	H6	117.634
C3	C1	H8	111.722	C3	C2	C4	87.482
C3	C2	H7	117.634	C3	C2	H9	111.722
C3	C5	H10	121.241	C3	C5	H11	121.241
C4	C1	H6	118.001	C4	C1	H8	111.763
C4	C2	H7	118.001	C4	C2	H9	111.763
H6	C1	H8	108.920	H7	C2	H9	108.920
H10	C5	H11	117.518	H12	C4	H13	109.173

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

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

States and conformations

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