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	hartrees
Energy at 0K	-261.412284
Energy at 298.15K
HF Energy	-260.575313
Nuclear repulsion energy	162.035445

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	3329	3226	1.40	108.29	0.08	0.14
2	A₁	1425	1382	27.83	6.48	0.74	0.85
3	A₁	1273	1234	1.76	28.96	0.03	0.05
4	A₁	1080	1047	0.81	6.61	0.28	0.44
5	A₁	1022	991	15.43	10.06	0.09	0.17
6	A₁	898	871	11.96	5.38	0.08	0.16
7	A₂	851	824	0.00	0.05	0.75	0.86
8	A₂	638	619	0.00	0.36	0.75	0.86
9	B₁	836	810	43.71	0.03	0.75	0.86
10	B₁	657	637	1.65	0.07	0.75	0.86
11	B₂	3312	3210	1.25	52.60	0.75	0.86
12	B₂	1481	1435	0.17	0.78	0.75	0.86
13	B₂	1165	1129	5.64	0.00	0.75	0.86
14	B₂	959	930	14.21	1.96	0.75	0.86
15	B₂	907	879	0.49	0.72	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.132
N2	1.141	0.367
N3	-1.141	0.367
C4	0.706	-0.897
C5	-0.706	-0.897
H6	1.417	-1.718
H7	-1.417	-1.718

	O1	N2	N3	C4	C5	H6	H7
O1		1.3732	1.3732	2.1478	2.1478	3.1823	3.1823
N2	1.3732		2.2816	1.3368	2.2380	2.1033	3.3000
N3	1.3732	2.2816		2.2380	1.3368	3.3000	2.1033
C4	2.1478	1.3368	2.2380		1.4119	1.0861	2.2761
C5	2.1478	2.2380	1.3368	1.4119		2.2761	1.0861
H6	3.1823	2.1033	3.3000	1.0861	2.2761		2.8340
H7	3.1823	3.3000	2.1033	2.2761	1.0861	2.8340

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	104.838	O1	N3	C5	104.838
N2	O1	N3	112.355	N2	C4	C5	108.985
N2	C4	H6	120.118	N3	C5	C4	108.985
N3	C5	H7	120.118	C4	C5	H7	130.897
C5	C4	H6	130.897

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP2=FULL/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: MP2=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)