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	hartrees
Energy at 0K	-261.357480
Energy at 298.15K
HF Energy	-260.559121
Nuclear repulsion energy	162.614343

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	3340	3175	1.65	92.67	0.10	0.19
2	A₁	1437	1365	27.03	7.61	0.75	0.85
3	A₁	1298	1233	0.74	16.39	0.11	0.20
4	A₁	1083	1030	0.87	8.14	0.45	0.62
5	A₁	1046	994	14.00	6.67	0.22	0.36
6	A₁	918	873	12.04	4.47	0.12	0.21
7	A₂	884	840	0.00	0.62	0.75	0.86
8	A₂	648	616	0.00	0.64	0.75	0.86
9	B₁	848	806	37.69	0.81	0.75	0.86
10	B₁	669	636	1.16	0.19	0.75	0.86
11	B₂	3324	3160	0.96	51.47	0.75	0.86
12	B₂	1504	1429	0.31	1.01	0.75	0.86
13	B₂	1176	1118	6.07	0.01	0.75	0.86
14	B₂	968	920	16.25	3.45	0.75	0.86
15	B₂	939	893	1.15	1.58	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.125
N2	1.135	0.369
N3	-1.135	0.369
C4	0.706	-0.894
C5	-0.706	-0.894
H6	1.418	-1.716
H7	-1.418	-1.716

	O1	N2	N3	C4	C5	H6	H7
O1		1.3637	1.3637	2.1385	2.1385	3.1748	3.1748
N2	1.3637		2.2703	1.3337	2.2327	2.1038	3.2962
N3	1.3637	2.2703		2.2327	1.3337	3.2962	2.1038
C4	2.1385	1.3337	2.2327		1.4122	1.0874	2.2777
C5	2.1385	2.2327	1.3337	1.4122		2.2777	1.0874
H6	3.1748	2.1038	3.2962	1.0874	2.2777		2.8362
H7	3.1748	3.2962	2.1038	2.2777	1.0874	2.8362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	104.891	O1	N3	C5	104.891
N2	O1	N3	112.687	N2	C4	C5	108.765
N2	C4	H6	120.332	N3	C5	C4	108.765
N3	C5	H7	120.332	C4	C5	H7	130.903
C5	C4	H6	130.903

All results from a given calculation for C₂H₂N₂O (Furazan)

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

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)