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	hartrees
Energy at 0K	-261.379803
Energy at 298.15K
HF Energy	-260.538210
Nuclear repulsion energy	162.105995

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3293	3293
2	A₁	1476	1476
3	A₁	1348	1348
4	A₁	1075	1075
5	A₁	1008	1008
6	A₁	882	882
7	A₂	841	841
8	A₂	632	632
9	B₁	841	841
10	B₁	629	629
11	B₂	3280	3280
12	B₂	1588	1588
13	B₂	1212	1212
14	B₂	959	959
15	B₂	862	862

Atom	y (Å)	z (Å)
O1	0.000	1.138
N2	1.145	0.355
N3	-1.145	0.355
C4	0.713	-0.886
C5	-0.713	-0.886
H6	1.408	-1.717
H7	-1.408	-1.717

	O1	N2	N3	C4	C5	H6	H7
O1		1.3873	1.3873	2.1454	2.1454	3.1832	3.1832
N2	1.3873		2.2906	1.3138	2.2343	2.0885	3.2883
N3	1.3873	2.2906		2.2343	1.3138	3.2883	2.0885
C4	2.1454	1.3138	2.2343		1.4260	1.0837	2.2782
C5	2.1454	2.2343	1.3138	1.4260		2.2782	1.0837
H6	3.1832	2.0885	3.2883	1.0837	2.2782		2.8164
H7	3.1832	3.2883	2.0885	2.2782	1.0837	2.8164

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.143	O1	N3	C5	105.143
N2	O1	N3	111.293	N2	C4	C5	109.211
N2	C4	H6	120.884	N3	C5	C4	109.211
N3	C5	H7	120.884	C4	C5	H7	129.905
C5	C4	H6	129.905

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: QCISD(T)=FULL/6-31G*

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)=FULL/6-31G*

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)