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	hartrees
Energy at 0K	-193.955817
Energy at 298.15K	-193.964578
Nuclear repulsion energy	168.303131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3301	2980	10.85
2	A'	3275	2956	73.61
3	A'	3246	2930	21.52
4	A'	3221	2907	50.99
5	A'	3200	2889	14.04
6	A'	1914	1727	21.02
7	A'	1637	1477	0.21
8	A'	1603	1447	1.39
9	A'	1566	1414	0.83
10	A'	1397	1261	3.13
11	A'	1333	1203	0.17
12	A'	1201	1084	0.21
13	A'	1036	935	15.08
14	A'	1032	932	32.41
15	A'	955	862	0.34
16	A'	801	723	0.89
17	A'	715	646	1.81
18	A'	417	376	5.31
19	A'	100	90	0.02
20	A"	3381	3051	18.35
21	A"	3251	2934	18.87
22	A"	3197	2886	62.45
23	A"	1596	1441	1.47
24	A"	1418	1280	0.29
25	A"	1368	1235	0.07
26	A"	1336	1206	0.67
27	A"	1309	1181	1.56
28	A"	1135	1025	0.06
29	A"	998	901	1.13
30	A"	984	888	1.36
31	A"	880	795	0.09
32	A"	697	629	0.11
33	A"	382	345	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.155	-0.424	1.090
C2	0.155	-0.424	-1.090
C3	0.000	0.622	0.000
C4	-0.030	-1.512	0.000
C5	-0.282	1.906	0.000
H6	-0.568	-0.402	1.898
H7	-0.568	-0.402	-1.898
H8	1.153	-0.429	1.519
H9	1.153	-0.429	-1.519
H10	-0.404	2.455	0.919
H11	-0.404	2.455	-0.919
H12	0.683	-2.327	0.000
H13	-1.032	-1.926	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1800	1.5189	1.5513	2.6092	1.0844	3.0743	1.0865	2.7935	2.9374	3.5543	2.2562	2.2031
C2	2.1800		1.5189	1.5513	2.6092	3.0743	1.0844	2.7935	1.0865	3.5543	2.9374	2.2562	2.2031
C3	1.5189	1.5189		2.1348	1.3142	2.2302	2.2302	2.1780	2.1780	2.0890	2.0890	3.0280	2.7497
C4	1.5513	1.5513	2.1348		3.4274	2.2639	2.2639	2.2090	2.2090	4.0888	4.0888	1.0833	1.0839
C5	2.6092	2.6092	1.3142	3.4274		3.0015	3.0015	3.1340	3.1340	1.0768	1.0768	4.3421	3.9049
H6	1.0844	3.0743	2.2302	2.2639	3.0015		3.7962	1.7623	3.8261	3.0239	4.0147	2.9794	2.4785
H7	3.0743	1.0844	2.2302	2.2639	3.0015	3.7962		3.8261	1.7623	4.0147	3.0239	2.9794	2.4785
H8	1.0865	2.7935	2.1780	2.2090	3.1340	1.7623	3.8261		3.0382	3.3322	4.0846	2.4761	3.0532
H9	2.7935	1.0865	2.1780	2.2090	3.1340	3.8261	1.7623	3.0382		4.0846	3.3322	2.4761	3.0532
H10	2.9374	3.5543	2.0890	4.0888	1.0768	3.0239	4.0147	3.3322	4.0846		1.8370	4.9894	4.5200
H11	3.5543	2.9374	2.0890	4.0888	1.0768	4.0147	3.0239	4.0846	3.3322	1.8370		4.9894	4.5200
H12	2.2562	2.2562	3.0280	1.0833	4.3421	2.9794	2.9794	2.4761	2.4761	4.9894	4.9894		1.7613
H13	2.2031	2.2031	2.7497	1.0839	3.9049	2.4785	2.4785	3.0532	3.0532	4.5200	4.5200	1.7613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.715	C1	C3	C5	134.009
C1	C4	C2	89.279	C1	C4	H12	116.702
C1	C4	H13	112.228	C2	C3	C5	134.009
C2	C4	H12	116.702	C2	C4	H13	112.228
C3	C1	C4	88.101	C3	C1	H6	116.908
C3	C1	H8	112.370	C3	C2	C4	88.101
C3	C2	H7	116.908	C3	C2	H9	112.370
C3	C5	H10	121.460	C3	C5	H11	121.460
C4	C1	H6	117.297	C4	C1	H8	112.557
C4	C2	H7	117.297	C4	C2	H9	112.557
H6	C1	H8	108.546	H7	C2	H9	108.546
H10	C5	H11	117.079	H12	C4	H13	108.722

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

using model chemistry: HF/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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Number	Element	Mulliken	CHELPG
1	C	-0.242	-0.014
2	C	-0.242	-0.016
3	C	0.063	0.131
4	C	-0.249	0.074
5	C	-0.342	-0.016
6	H	0.129	-0.014
7	H	0.129	0.131
8	H	0.133	0.039
9	H	0.133	0.040
10	H	0.121	-0.169
11	H	0.121	0.188
12	H	0.119	0.188
13	H	0.128	-0.562

	x	y	z
x	9.639	0.000	-0.408
y	0.000	7.046	0.000
z	-0.408	0.000	5.303

<r²>	115.322
(<r²>)^1/2	10.739

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

using model chemistry: HF/6-31G**

States and conformations

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