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	hartrees
Energy at 0K	-261.676662
Energy at 298.15K	-261.672305
HF Energy	-260.543672
Nuclear repulsion energy	166.883369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3468	3468	0.07	83.60	0.10	0.18
2	A₁	1663	1663	6.19	26.55	0.21	0.34
3	A₁	1483	1483	6.02	12.36	0.29	0.45
4	A₁	1169	1169	46.36	6.59	0.39	0.56
5	A₁	1118	1118	0.39	2.08	0.17	0.30
6	A₁	1010	1010	38.43	4.24	0.13	0.23
7	A₂	1025	1025	0.00	3.25	0.75	0.86
8	A₂	717	717	0.00	0.07	0.75	0.86
9	B₁	970	970	31.32	0.26	0.75	0.86
10	B₁	703	703	0.98	1.19	0.75	0.86
11	B₂	3454	3454	0.25	54.15	0.75	0.86
12	B₂	1812	1812	0.06	0.99	0.75	0.86
13	B₂	1336	1336	2.55	1.02	0.75	0.86
14	B₂	1141	1141	0.73	0.51	0.75	0.86
15	B₂	1058	1058	29.72	5.07	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.096
N2	1.099	0.353
N3	-1.099	0.353
C4	0.715	-0.863
C5	-0.715	-0.863
H6	1.413	-1.676
H7	-1.413	-1.676

	O1	N2	N3	C4	C5	H6	H7
O1		1.3265	1.3265	2.0860	2.0860	3.1117	3.1117
N2	1.3265		2.1974	1.2752	2.1841	2.0532	3.2290
N3	1.3265	2.1974		2.1841	1.2752	3.2290	2.0532
C4	2.0860	1.2752	2.1841		1.4309	1.0712	2.2786
C5	2.0860	2.1841	1.2752	1.4309		2.2786	1.0712
H6	3.1117	2.0532	3.2290	1.0712	2.2786		2.8266
H7	3.1117	3.2290	2.0532	2.2786	1.0712	2.8266

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	106.589	O1	N3	C5	106.589
N2	O1	N3	111.843	N2	C4	C5	107.490
N2	C4	H6	121.861	N3	C5	C4	107.490
N3	C5	H7	121.861	C4	C5	H7	130.649
C5	C4	H6	130.649

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)