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	hartrees
Energy at 0K	-194.841594
Energy at 298.15K	-194.850144
HF Energy	-194.008719
Nuclear repulsion energy	168.335760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3023	31.06
2	A'	3177	3017	5.31
3	A'	3156	2997	8.05
4	A'	3112	2955	35.06
5	A'	3090	2934	9.89
6	A'	1746	1658	17.03
7	A'	1508	1432	0.04
8	A'	1484	1410	3.22
9	A'	1449	1375	1.23
10	A'	1256	1192	0.43
11	A'	1229	1167	0.16
12	A'	1096	1041	1.00
13	A'	987	937	0.51
14	A'	909	863	3.47
15	A'	905	859	38.33
16	A'	754	716	2.24
17	A'	663	629	1.81
18	A'	384	364	5.63
19	A'	134	127	0.33
20	A"	3272	3107	6.57
21	A"	3160	3001	17.50
22	A"	3087	2931	32.86
23	A"	1470	1396	4.06
24	A"	1286	1221	0.01
25	A"	1252	1189	0.21
26	A"	1220	1159	0.55
27	A"	1183	1124	1.60
28	A"	1048	995	0.21
29	A"	935	888	1.41
30	A"	921	874	0.76
31	A"	817	775	0.07
32	A"	659	626	0.08
33	A"	350	332	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.253	-0.383	1.091
C2	0.253	-0.383	-1.091
C3	-0.121	0.605	0.000
C4	0.253	-1.489	0.000
C5	-0.673	1.813	0.000
H6	-0.449	-0.494	1.915
H7	-0.449	-0.494	-1.915
H8	1.247	-0.197	1.497
H9	1.247	-0.197	-1.497
H10	-0.910	2.323	0.924
H11	-0.910	2.323	-0.924
H12	1.099	-2.171	0.000
H13	-0.669	-2.065	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1813	1.5183	1.5531	2.6217	1.0885	3.0883	1.0902	2.7785	2.9505	3.5691	2.2587	2.2063
C2	2.1813		1.5183	1.5531	2.6217	3.0883	1.0885	2.7785	1.0902	3.5691	2.9505	2.2587	2.2063
C3	1.5183	1.5183		2.1267	1.3291	2.2320	2.2320	2.1807	2.1807	2.1050	2.1050	3.0321	2.7252
C4	1.5531	1.5531	2.1267		3.4298	2.2691	2.2691	2.2135	2.2135	4.0915	4.0915	1.0867	1.0872
C5	2.6217	2.6217	1.3291	3.4298		3.0070	3.0070	3.1578	3.1578	1.0819	1.0819	4.3611	3.8783
H6	1.0885	3.0883	2.2320	2.2691	3.0070		3.8294	1.7724	3.8220	3.0219	4.0265	2.9791	2.4862
H7	3.0883	1.0885	2.2320	2.2691	3.0070	3.8294		3.8220	1.7724	4.0265	3.0219	2.9791	2.4862
H8	1.0902	2.7785	2.1807	2.2135	3.1578	1.7724	3.8220		2.9942	3.3663	4.1071	2.4824	3.0666
H9	2.7785	1.0902	2.1807	2.2135	3.1578	3.8220	1.7724	2.9942		4.1071	3.3663	2.4824	3.0666
H10	2.9505	3.5691	2.1050	4.0915	1.0819	3.0219	4.0265	3.3663	4.1071		1.8490	5.0091	4.4911
H11	3.5691	2.9505	2.1050	4.0915	1.0819	4.0265	3.0219	4.1071	3.3663	1.8490		5.0091	4.4911
H12	2.2587	2.2587	3.0321	1.0867	4.3611	2.9791	2.9791	2.4824	2.4824	5.0091	5.0091		1.7710
H13	2.2063	2.2063	2.7252	1.0872	3.8783	2.4862	2.4862	3.0666	3.0666	4.4911	4.4911	1.7710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.833	C1	C3	C5	133.960
C1	C4	C2	89.215	C1	C4	H12	116.554
C1	C4	H13	112.160	C2	C3	C5	133.960
C2	C4	H12	116.554	C2	C4	H13	112.160
C3	C1	C4	87.637	C3	C1	H6	116.829
C3	C1	H8	112.404	C3	C2	C4	87.637
C3	C2	H7	116.829	C3	C2	H9	112.404
C3	C5	H10	121.298	C3	C5	H11	121.298
C4	C1	H6	117.324	C4	C1	H8	112.560
C4	C2	H7	117.324	C4	C2	H9	112.560
H6	C1	H8	108.883	H7	C2	H9	108.883
H10	C5	H11	117.404	H12	C4	H13	109.110

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

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

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