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	hartrees
Energy at 0K	-155.934018
Energy at 298.15K	-155.940308
HF Energy	-155.934018
Nuclear repulsion energy	113.255653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3258	3104	22.62
2	A₁	3082	2936	47.87
3	A₁	1677	1597	2.16
4	A₁	1512	1440	0.33
5	A₁	1248	1189	2.82
6	A₁	1158	1103	0.18
7	A₁	1021	973	0.06
8	A₁	918	875	1.87
9	A₂	3124	2976	0.00
10	A₂	1188	1131	0.00
11	A₂	1054	1004	0.00
12	A₂	953	908	0.00
13	A₂	324	308	0.00
14	B₁	3138	2989	49.82
15	B₁	1118	1065	7.50
16	B₁	888	846	19.23
17	B₁	664	633	61.02
18	B₂	3226	3073	15.73
19	B₂	3076	2931	49.05
20	B₂	1485	1415	0.73
21	B₂	1350	1286	15.06
22	B₂	1260	1200	4.93
23	B₂	922	879	16.68
24	B₂	863	822	1.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.669	0.813
C2	0.000	-0.669	0.813
C3	0.000	0.783	-0.698
C4	0.000	-0.783	-0.698
H5	0.000	1.417	1.599
H6	0.000	-1.417	1.599
H7	0.890	1.241	-1.142
H8	-0.890	-1.241	-1.142
H9	-0.890	1.241	-1.142
H10	0.890	-1.241	-1.142

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3385	1.5151	2.0953	1.0850	2.2293	2.2224	2.8743	2.2224	2.8743
C2	1.3385		2.0953	1.5151	2.2293	1.0850	2.8743	2.2224	2.8743	2.2224
C3	1.5151	2.0953		1.5650	2.3833	3.1803	1.0951	2.2548	1.0951	2.2548
C4	2.0953	1.5151	1.5650		3.1803	2.3833	2.2548	1.0951	2.2548	1.0951
H5	1.0850	2.2293	2.3833	3.1803		2.8335	2.8870	3.9203	2.8870	3.9203
H6	2.2293	1.0850	3.1803	2.3833	2.8335		3.9203	2.8870	3.9203	2.8870
H7	2.2224	2.8743	1.0951	2.2548	2.8870	3.9203		3.0547	1.7803	2.4823
H8	2.8743	2.2224	2.2548	1.0951	3.9203	2.8870	3.0547		2.4823	1.7803
H9	2.2224	2.8743	1.0951	2.2548	2.8870	3.9203	1.7803	2.4823		3.0547
H10	2.8743	2.2224	2.2548	1.0951	3.9203	2.8870	2.4823	1.7803	3.0547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.288	C1	C2	H6	133.548
C1	C3	C4	85.712	C1	C3	H7	115.791
C1	C3	H9	115.791	C2	C1	C3	94.288
C2	C1	H5	133.548	C2	C4	C3	85.712
C2	C4	H8	115.791	C2	C4	H10	115.791
C3	C1	H5	132.163	C3	C4	H8	114.759
C3	C4	H10	114.759	C4	C2	H6	132.163
C4	C3	H7	114.759	C4	C3	H9	114.759
H7	C3	H9	108.742	H8	C4	H10	108.742

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: wB97X-D/cc-pVDZ

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	-0.116
2	C	-0.116
3	C	-0.342
4	C	-0.342
5	H	0.144
6	H	0.144
7	H	0.157
8	H	0.157
9	H	0.157
10	H	0.157

<r²>	65.790
(<r²>)^1/2	8.111

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)