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	hartrees
Energy at 0K	-259.537390
Energy at 298.15K
HF Energy	-259.064336
Nuclear repulsion energy	159.177246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3380	3182	4.42
2	A₁	1453	1368	9.45
3	A₁	1357	1277	7.89
4	A₁	1052	990	0.40
5	A₁	982	925	2.99
6	A₁	860	809	16.35
7	A₂	964	907	0.00
8	A₂	669	630	0.00
9	B₁	919	865	47.27
10	B₁	592	557	0.58
11	B₂	3364	3166	0.02
12	B₂	1602	1508	6.20
13	B₂	1269	1194	10.41
14	B₂	1002	944	13.89
15	B₂	873	822	0.59

Atom	y (Å)	z (Å)
O1	0.000	1.181
N2	1.182	0.333
N3	-1.182	0.333
C4	0.722	-0.887
C5	-0.722	-0.887
H6	1.378	-1.736
H7	-1.378	-1.736

	O1	N2	N3	C4	C5	H6	H7
O1		1.4551	1.4551	2.1906	2.1906	3.2259	3.2259
N2	1.4551		2.3648	1.3041	2.2617	2.0780	3.2915
N3	1.4551	2.3648		2.2617	1.3041	3.2915	2.0780
C4	2.1906	1.3041	2.2617		1.4439	1.0725	2.2647
C5	2.1906	2.2617	1.3041	1.4439		2.2647	1.0725
H6	3.2259	2.0780	3.2915	1.0725	2.2647		2.7553
H7	3.2259	3.2915	2.0780	2.2647	1.0725	2.7553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	104.977	O1	N3	C5	104.977
N2	O1	N3	108.696	N2	C4	C5	110.675
N2	C4	H6	121.638	N3	C5	C4	110.675
N3	C5	H7	121.638	C4	C5	H7	127.687
C5	C4	H6	127.687

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CISD/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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All results from a given calculation for C2H2N2O (Furazan)

using model chemistry: CISD/3-21G

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)