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	hartrees
Energy at 0K	-193.310242
Energy at 298.15K	-193.318621
HF Energy	-192.861808
Nuclear repulsion energy	165.217885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3052	32.57
2	A'	3164	3020	6.93
3	A'	3162	3018	9.94
4	A'	3131	2989	28.71
5	A'	3111	2969	1.74
6	A'	1736	1657	6.31
7	A'	1583	1511	0.09
8	A'	1561	1490	0.72
9	A'	1522	1453	0.25
10	A'	1295	1236	0.34
11	A'	1262	1204	0.04
12	A'	1118	1067	0.05
13	A'	937	894	20.76
14	A'	935	892	25.99
15	A'	857	818	0.04
16	A'	757	723	2.28
17	A'	673	643	0.52
18	A'	367	350	7.17
19	A'	38	37	0.01
20	A"	3245	3097	10.85
21	A"	3168	3024	1.28
22	A"	3108	2967	34.30
23	A"	1557	1486	3.24
24	A"	1305	1245	0.27
25	A"	1286	1227	0.51
26	A"	1271	1213	0.54
27	A"	1218	1162	4.51
28	A"	1104	1054	0.02
29	A"	908	866	0.05
30	A"	890	850	1.71
31	A"	849	810	0.01
32	A"	660	630	0.02
33	A"	367	350	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.063	-0.434	1.125
C2	0.063	-0.434	-1.125
C3	0.000	0.631	0.000
C4	-0.031	-1.555	0.000
C5	-0.097	1.961	0.000
H6	-0.768	-0.416	1.835
H7	-0.768	-0.416	-1.835
H8	1.015	-0.442	1.664
H9	1.015	-0.442	-1.664
H10	-0.141	2.530	0.925
H11	-0.141	2.530	-0.925
H12	0.787	-2.278	0.000
H13	-0.991	-2.075	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.2490	1.5501	1.5906	2.6505	1.0936	3.0741	1.0945	2.9470	2.9784	3.6099	2.2779	2.2518
C2	2.2490		1.5501	1.5906	2.6505	3.0741	1.0936	2.9470	1.0945	3.6099	2.9784	2.2779	2.2518
C3	1.5501	1.5501		2.1862	1.3333	2.2477	2.2477	2.2252	2.2252	2.1176	2.1176	3.0137	2.8821
C4	1.5906	1.5906	2.1862		3.5163	2.2821	2.2821	2.2595	2.2595	4.1905	4.1905	1.0918	1.0921
C5	2.6505	2.6505	1.3333	3.5163		3.0764	3.0764	3.1271	3.1271	1.0873	1.0873	4.3301	4.1339
H6	1.0936	3.0741	2.2477	2.2821	3.0764		3.6702	1.7914	3.9277	3.1466	4.0854	3.0419	2.4844
H7	3.0741	1.0936	2.2477	2.2821	3.0764	3.6702		3.9277	1.7914	4.0854	3.1466	3.0419	2.4844
H8	1.0945	2.9470	2.2252	2.2595	3.1271	1.7914	3.9277		3.3289	3.2739	4.1081	2.4892	3.0767
H9	2.9470	1.0945	2.2252	2.2595	3.1271	3.9277	1.7914	3.3289		4.1081	3.2739	2.4892	3.0767
H10	2.9784	3.6099	2.1176	4.1905	1.0873	3.1466	4.0854	3.2739	4.1081		1.8499	4.9842	4.7742
H11	3.6099	2.9784	2.1176	4.1905	1.0873	4.0854	3.1466	4.1081	3.2739	1.8499		4.9842	4.7742
H12	2.2779	2.2779	3.0137	1.0918	4.3301	3.0419	3.0419	2.4892	2.4892	4.9842	4.9842		1.7896
H13	2.2518	2.2518	2.8821	1.0921	4.1339	2.4844	2.4844	3.0767	3.0767	4.7742	4.7742	1.7896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	93.014	C1	C3	C5	133.488
C1	C4	C2	89.978	C1	C4	H12	114.981
C1	C4	H13	112.830	C2	C3	C5	133.488
C2	C4	H12	114.981	C2	C4	H13	112.830
C3	C1	C4	88.217	C3	C1	H6	115.388
C3	C1	H8	113.465	C3	C2	C4	88.217
C3	C2	H7	115.388	C3	C2	H9	113.465
C3	C5	H10	121.716	C3	C5	H11	121.716
C4	C1	H6	115.219	C4	C1	H8	113.303
C4	C2	H7	115.219	C4	C2	H9	113.303
H6	C1	H8	109.913	H7	C2	H9	109.913
H10	C5	H11	116.568	H12	C4	H13	110.063

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

using model chemistry: MP2/3-21G

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	ESP
1	C	-0.379	-0.040
2	C	-0.379	-0.040
3	C	0.027	0.147
4	C	-0.386	-0.200
5	C	-0.430	-0.596
6	H	0.199	0.042
7	H	0.199	0.042
8	H	0.204	0.044
9	H	0.204	0.044
10	H	0.179	0.206
11	H	0.179	0.206
12	H	0.188	0.071
13	H	0.195	0.072

	x	y	z	Total
	0.021	-0.325	0.000	0.325
CHELPG
AIM
ESP	0.049	-0.335	0.000	0.338

	x	y	z
x	8.686	0.000	0.180
y	0.000	6.821	0.000
z	0.180	0.000	4.821

<r²>	119.417
(<r²>)^1/2	10.928

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

using model chemistry: MP2/3-21G

States and conformations

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