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	hartrees
Energy at 0K	-194.521670
Energy at 298.15K	-194.530318
HF Energy	-193.942436
Nuclear repulsion energy	168.198382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	3021	7.33
2	A'	3246	3005	49.60
3	A'	3218	2979	15.51
4	A'	3189	2952	38.77
5	A'	3167	2932	10.61
6	A'	1864	1726	15.32
7	A'	1601	1482	0.02
8	A'	1570	1454	1.86
9	A'	1523	1410	0.85
10	A'	1348	1248	0.35
11	A'	1291	1195	0.04
12	A'	1161	1075	0.22
13	A'	1028	952	0.40
14	A'	962	891	45.13
15	A'	940	871	0.72
16	A'	789	731	1.41
17	A'	696	644	1.53
18	A'	398	369	4.99
19	A'	109	101	0.03
20	A"	3343	3095	13.53
21	A"	3221	2982	16.12
22	A"	3163	2929	42.91
23	A"	1562	1446	2.38
24	A"	1370	1269	0.13
25	A"	1323	1225	0.21
26	A"	1291	1195	1.10
27	A"	1266	1172	1.81
28	A"	1101	1019	0.10
29	A"	988	915	1.34
30	A"	962	891	0.77
31	A"	859	795	0.14
32	A"	682	632	0.13
33	A"	368	340	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.179	-0.423	1.088
C2	0.179	-0.423	-1.088
C3	0.000	0.619	0.000
C4	-0.031	-1.506	0.000
C5	-0.329	1.899	0.000
H6	-0.523	-0.400	1.920
H7	-0.523	-0.400	-1.920
H8	1.193	-0.431	1.489
H9	1.193	-0.431	-1.489
H10	-0.471	2.447	0.921
H11	-0.471	2.447	-0.921
H12	0.659	-2.347	0.000
H13	-1.050	-1.889	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1752	1.5168	1.5494	2.6136	1.0891	3.0887	1.0911	2.7693	2.9472	3.5629	2.2619	2.2008
C2	2.1752		1.5168	1.5494	2.6136	3.0887	1.0891	2.7693	1.0911	3.5629	2.9472	2.2619	2.2008
C3	1.5168	1.5168		2.1257	1.3212	2.2361	2.2361	2.1785	2.1785	2.1004	2.1004	3.0386	2.7195
C4	1.5494	1.5494	2.1257		3.4181	2.2699	2.2699	2.2073	2.2073	4.0831	4.0831	1.0879	1.0883
C5	2.6136	2.6136	1.3212	3.4181		3.0019	3.0019	3.1566	3.1566	1.0815	1.0815	4.3593	3.8564
H6	1.0891	3.0887	2.2361	2.2699	3.0019		3.8406	1.7697	3.8171	3.0180	4.0231	2.9790	2.4866
H7	3.0887	1.0891	2.2361	2.2699	3.0019	3.8406		3.8171	1.7697	4.0231	3.0180	2.9790	2.4866
H8	1.0911	2.7693	2.1785	2.2073	3.1566	1.7697	3.8171		2.9783	3.3730	4.1068	2.4844	3.0619
H9	2.7693	1.0911	2.1785	2.2073	3.1566	3.8171	1.7697	2.9783		4.1068	3.3730	2.4844	3.0619
H10	2.9472	3.5629	2.1004	4.0831	1.0815	3.0180	4.0231	3.3730	4.1068		1.8427	5.0109	4.4711
H11	3.5629	2.9472	2.1004	4.0831	1.0815	4.0231	3.0180	4.1068	3.3730	1.8427		5.0109	4.4711
H12	2.2619	2.2619	3.0386	1.0879	4.3593	2.9790	2.9790	2.4844	2.4844	5.0109	5.0109		1.7693
H13	2.2008	2.2008	2.7195	1.0883	3.8564	2.4866	2.4866	3.0619	3.0619	4.4711	4.4711	1.7693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.619	C1	C3	C5	134.007
C1	C4	C2	89.162	C1	C4	H12	117.021
C1	C4	H13	111.907	C2	C3	C5	134.007
C2	C4	H12	117.021	C2	C4	H13	111.907
C3	C1	C4	87.770	C3	C1	H6	117.260
C3	C1	H8	112.271	C3	C2	C4	87.770
C3	C2	H7	117.260	C3	C2	H9	112.271
C3	C5	H10	121.580	C3	C5	H11	121.580
C4	C1	H6	117.635	C4	C1	H8	112.262
C4	C2	H7	117.635	C4	C2	H9	112.262
H6	C1	H8	108.525	H7	C2	H9	108.525
H10	C5	H11	116.840	H12	C4	H13	108.780

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

using model chemistry: CISD/6-31G*

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: CISD/6-31G*

States and conformations

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