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	hartrees
Energy at 0K	-261.446682
Energy at 298.15K
HF Energy	-260.576345
Nuclear repulsion energy	161.423544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3282	3159
2	A₁	1449	1395
3	A₁	1317	1268
4	A₁	1047	1008
5	A₁	996	959
6	A₁	863	830
7	A₂	838	806
8	A₂	625	601
9	B₁	832	801
10	B₁	620	597
11	B₂	3266	3144
12	B₂	1549	1491
13	B₂	1174	1130
14	B₂	943	907
15	B₂	830	799

Atom	y (Å)	z (Å)
O1	0.000	1.140
N2	1.148	0.359
N3	-1.148	0.359
C4	0.719	-0.891
C5	-0.719	-0.891
H6	1.423	-1.723
H7	-1.423	-1.723

	O1	N2	N3	C4	C5	H6	H7
O1		1.3884	1.3884	2.1550	2.1550	3.1977	3.1977
N2	1.3884		2.2951	1.3216	2.2464	2.1003	3.3079
N3	1.3884	2.2951		2.2464	1.3216	3.3079	2.1003
C4	2.1550	1.3216	2.2464		1.4376	1.0900	2.2976
C5	2.1550	2.2464	1.3216	1.4376		2.2976	1.0900
H6	3.1977	2.1003	3.3079	1.0900	2.2976		2.8457
H7	3.1977	3.3079	2.1003	2.2976	1.0900	2.8457

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.324	O1	N3	C5	105.324
N2	O1	N3	111.491	N2	C4	C5	108.931
N2	C4	H6	120.834	N3	C5	C4	108.931
N3	C5	H7	120.834	C4	C5	H7	130.236
C5	C4	H6	130.236

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCSD(T)/aug-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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All results from a given calculation for C2H2N2O (Furazan)

using model chemistry: CCSD(T)/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)