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	hartrees
Energy at 0K	-155.117068
Energy at 298.15K	-155.123313
Nuclear repulsion energy	112.062886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3253	3139	17.80
2	A₁	3083	2975	29.75
3	A₁	1621	1564	0.21
4	A₁	1528	1474	0.67
5	A₁	1218	1175	3.72
6	A₁	1129	1089	0.02
7	A₁	979	944	0.03
8	A₁	846	817	1.54
9	A₂	3124	3014	0.00
10	A₂	1193	1151	0.00
11	A₂	1045	1008	0.00
12	A₂	963	929	0.00
13	A₂	324	313	0.00
14	B₁	3139	3029	41.17
15	B₁	1130	1090	3.61
16	B₁	880	849	18.51
17	B₁	670	646	57.20
18	B₂	3216	3103	9.89
19	B₂	3076	2968	31.81
20	B₂	1515	1461	0.70
21	B₂	1317	1270	10.83
22	B₂	1259	1215	12.76
23	B₂	900	869	2.15
24	B₂	862	831	8.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.672	0.825
C2	0.000	-0.672	0.825
C3	0.000	0.801	-0.711
C4	0.000	-0.801	-0.711
H5	0.000	1.418	1.608
H6	0.000	-1.418	1.608
H7	0.898	1.248	-1.146
H8	-0.898	-1.248	-1.146
H9	-0.898	1.248	-1.146
H10	0.898	-1.248	-1.146

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3449	1.5423	2.1289	1.0808	2.2319	2.2416	2.8950	2.2416	2.8950
C2	1.3449		2.1289	1.5423	2.2319	1.0808	2.8950	2.2416	2.8950	2.2416
C3	1.5423	2.1289		1.6013	2.4002	3.2096	1.0933	2.2785	1.0933	2.2785
C4	2.1289	1.5423	1.6013		3.2096	2.4002	2.2785	1.0933	2.2785	1.0933
H5	1.0808	2.2319	2.4002	3.2096		2.8356	2.9020	3.9367	2.9020	3.9367
H6	2.2319	1.0808	3.2096	2.4002	2.8356		3.9367	2.9020	3.9367	2.9020
H7	2.2416	2.8950	1.0933	2.2785	2.9020	3.9367		3.0747	1.7960	2.4956
H8	2.8950	2.2416	2.2785	1.0933	3.9367	2.9020	3.0747		2.4956	1.7960
H9	2.2416	2.8950	1.0933	2.2785	2.9020	3.9367	1.7960	2.4956		3.0747
H10	2.8950	2.2416	2.2785	1.0933	3.9367	2.9020	2.4956	1.7960	3.0747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.768	C1	C2	H6	133.602
C1	C3	C4	85.232	C1	C3	H7	115.484
C1	C3	H9	115.484	C2	C1	C3	94.768
C2	C1	H5	133.602	C2	C4	C3	85.232
C2	C4	H8	115.484	C2	C4	H10	115.484
C3	C1	H5	131.630	C3	C4	H8	114.142
C3	C4	H10	114.142	C4	C2	H6	131.630
C4	C3	H7	114.142	C4	C3	H9	114.142
H7	C3	H9	110.439	H8	C4	H10	110.439

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: B3LYP/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	-0.170	-0.171
2	C	-0.170	-0.171
3	C	-0.393	-0.142
4	C	-0.393	-0.142
5	H	0.167	0.138
6	H	0.167	0.138
7	H	0.198	0.088
8	H	0.198	0.087
9	H	0.198	0.087
10	H	0.198	0.088

	x	y	z	Total
	0.000	0.000	-0.135	0.135
CHELPG
AIM
ESP	0.008	0.000	-0.177	0.177

<r²>	66.744
(<r²>)^1/2	8.170

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)