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	hartrees
Energy at 0K	-261.663695
Energy at 298.15K
HF Energy	-260.636911
Nuclear repulsion energy	162.853486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3281	3172
2	A₁	1451	1403
3	A₁	1329	1285
4	A₁	1052	1017
5	A₁	1010	976
6	A₁	876	847
7	A₂	880	851
8	A₂	639	617
9	B₁	854	825
10	B₁	633	612
11	B₂	3265	3157
12	B₂	1562	1510
13	B₂	1191	1152
14	B₂	953	921
15	B₂	857	829

Atom	y (Å)	z (Å)
O1	0.000	1.132
N2	1.137	0.354
N3	-1.137	0.354
C4	0.712	-0.884
C5	-0.712	-0.884
H6	1.408	-1.706
H7	-1.408	-1.706

	O1	N2	N3	C4	C5	H6	H7
O1		1.3778	1.3778	2.1378	2.1378	3.1683	3.1683
N2	1.3778		2.2748	1.3091	2.2258	2.0784	3.2750
N3	1.3778	2.2748		2.2258	1.3091	3.2750	2.0784
C4	2.1378	1.3091	2.2258		1.4245	1.0774	2.2743
C5	2.1378	2.2258	1.3091	1.4245		2.2743	1.0774
H6	3.1683	2.0784	3.2750	1.0774	2.2743		2.8161
H7	3.1683	3.2750	2.0784	2.2743	1.0774	2.8161

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.405	O1	N3	C5	105.405
N2	O1	N3	111.287	N2	C4	C5	108.952
N2	C4	H6	120.821	N3	C5	C4	108.952
N3	C5	H7	120.821	C4	C5	H7	130.227
C5	C4	H6	130.227

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: QCISD(T)/aug-cc-pVTZ

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: QCISD(T)/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)