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	hartrees
Energy at 0K	-195.329014
Energy at 298.15K	-195.337472
HF Energy	-195.329014
Nuclear repulsion energy	167.323147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3145	3027	12.03
2	A'	3131	3014	49.24
3	A'	3097	2981	16.79
4	A'	3072	2957	53.53
5	A'	3045	2931	15.23
6	A'	1740	1675	28.70
7	A'	1515	1458	0.15
8	A'	1488	1433	1.99
9	A'	1454	1400	0.38
10	A'	1265	1218	0.06
11	A'	1225	1179	0.48
12	A'	1094	1053	1.13
13	A'	971	935	0.54
14	A'	900	866	50.91
15	A'	892	859	4.06
16	A'	748	720	1.92
17	A'	657	633	2.38
18	A'	380	365	7.76
19	A'	114	110	0.09
20	A"	3228	3107	16.84
21	A"	3101	2985	27.01
22	A"	3041	2927	53.18
23	A"	1475	1420	2.41
24	A"	1288	1240	0.02
25	A"	1247	1200	0.11
26	A"	1224	1179	0.85
27	A"	1189	1145	1.98
28	A"	1042	1003	0.17
29	A"	930	895	1.19
30	A"	913	878	1.15
31	A"	806	776	0.12
32	A"	640	616	0.14
33	A"	354	341	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.233	-0.394	1.094
C2	0.233	-0.394	-1.094
C3	-0.106	0.613	0.000
C4	0.233	-1.505	0.000
C5	-0.622	1.844	0.000
H6	-0.487	-0.495	1.913
H7	-0.487	-0.495	-1.913
H8	1.228	-0.227	1.524
H9	1.228	-0.227	-1.524
H10	-0.844	2.369	0.926
H11	-0.844	2.369	-0.926
H12	1.082	-2.193	0.000
H13	-0.694	-2.085	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1883	1.5248	1.5591	2.6337	1.0949	3.0940	1.0967	2.8057	2.9700	3.5882	2.2706	2.2174
C2	2.1883		1.5248	1.5591	2.6337	3.0940	1.0949	2.8057	1.0967	3.5882	2.9700	2.2706	2.2174
C3	1.5248	1.5248		2.1441	1.3352	2.2432	2.2432	2.1925	2.1925	2.1184	2.1184	3.0469	2.7612
C4	1.5591	1.5591	2.1441		3.4561	2.2800	2.2800	2.2235	2.2235	4.1258	4.1258	1.0934	1.0935
C5	2.6337	2.6337	1.3352	3.4561		3.0250	3.0250	3.1677	3.1677	1.0877	1.0877	4.3821	3.9304
H6	1.0949	3.0940	2.2432	2.2800	3.0250		3.8268	1.7785	3.8504	3.0500	4.0489	3.0011	2.4968
H7	3.0940	1.0949	2.2432	2.2800	3.0250	3.8268		3.8504	1.7785	4.0489	3.0500	3.0011	2.4968
H8	1.0967	2.8057	2.1925	2.2235	3.1677	1.7785	3.8504		3.0476	3.3749	4.1276	2.4914	3.0769
H9	2.8057	1.0967	2.1925	2.2235	3.1677	3.8504	1.7785	3.0476		4.1276	3.3749	2.4914	3.0769
H10	2.9700	3.5882	2.1184	4.1258	1.0877	3.0500	4.0489	3.3749	4.1276		1.8529	5.0378	4.5522
H11	3.5882	2.9700	2.1184	4.1258	1.0877	4.0489	3.0500	4.1276	3.3749	1.8529		5.0378	4.5522
H12	2.2706	2.2706	3.0469	1.0934	4.3821	3.0011	3.0011	2.4914	2.4914	5.0378	5.0378		1.7792
H13	2.2174	2.2174	2.7612	1.0935	3.9304	2.4968	2.4968	3.0769	3.0769	4.5522	4.5522	1.7792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.712	C1	C3	C5	134.002
C1	C4	C2	89.140	C1	C4	H12	116.651
C1	C4	H13	112.233	C2	C3	C5	134.002
C2	C4	H12	116.651	C2	C4	H13	112.233
C3	C1	C4	88.088	C3	C1	H6	116.854
C3	C1	H8	112.492	C3	C2	C4	88.088
C3	C2	H7	116.854	C3	C2	H9	112.492
C3	C5	H10	121.596	C3	C5	H11	121.596
C4	C1	H6	117.354	C4	C1	H8	112.525
C4	C2	H7	117.354	C4	C2	H9	112.525
H6	C1	H8	108.486	H7	C2	H9	108.486
H10	C5	H11	116.808	H12	C4	H13	108.893

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

using model chemistry: TPSSh/6-31+G**

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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Number	Element	Mulliken
1	C	-0.500
2	C	-0.500
3	C	0.237
4	C	-0.225
5	C	-0.263
6	H	0.159
7	H	0.159
8	H	0.169
9	H	0.169
10	H	0.144
11	H	0.144
12	H	0.145
13	H	0.163

	x	y	z
x	7.529	-1.633	0.000
y	-1.633	10.264	0.000
z	0.000	0.000	8.210

<r²>	116.359
(<r²>)^1/2	10.787

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

using model chemistry: TPSSh/6-31+G**

States and conformations

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