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	hartrees
Energy at 0K	-264.380367
Energy at 298.15K	-264.386233
HF Energy	-264.380367
Nuclear repulsion energy	208.575492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3196	3090	8.22
2	A₁	3168	3062	0.30
3	A₁	1612	1558	5.60
4	A₁	1482	1432	1.18
5	A₁	1182	1143	0.00
6	A₁	1175	1136	0.01
7	A₁	1092	1056	11.81
8	A₁	1010	977	7.68
9	A₁	683	660	3.35
10	A₂	1031	996	0.00
11	A₂	950	918	0.00
12	A₂	784	758	0.00
13	A₂	380	367	0.00
14	B₁	991	958	0.02
15	B₁	767	741	40.27
16	B₁	377	365	8.90
17	B₂	3183	3077	18.38
18	B₂	3164	3058	9.96
19	B₂	1606	1553	3.92
20	B₂	1447	1399	17.58
21	B₂	1316	1272	2.80
22	B₂	1088	1052	1.70
23	B₂	1062	1027	1.01
24	B₂	636	615	0.09

Atom	y (Å)	z (Å)
C1	0.689	1.174
C2	-0.689	1.174
C3	-1.319	-0.067
C4	1.319	-0.067
H5	1.265	2.089
H6	-1.265	2.089
H7	-2.398	-0.151
H8	2.398	-0.151
N9	0.664	-1.226
N10	-0.664	-1.226

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3777	2.3605	1.3924	1.0814	2.1578	3.3596	2.1630	2.4000	2.7551
C2	1.3777		1.3924	2.3605	2.1578	1.0814	2.1630	3.3596	2.7551	2.4000
C3	2.3605	1.3924		2.6373	3.3658	2.1572	1.0829	3.7180	2.2964	1.3302
C4	1.3924	2.3605	2.6373		2.1572	3.3658	3.7180	1.0829	1.3302	2.2964
H5	1.0814	2.1578	3.3658	2.1572		2.5310	4.2943	2.5101	3.3687	3.8355
H6	2.1578	1.0814	2.1572	3.3658	2.5310		2.5101	4.2943	3.8355	3.3687
H7	3.3596	2.1630	1.0829	3.7180	4.2943	2.5101		4.7967	3.2458	2.0401
H8	2.1630	3.3596	3.7180	1.0829	2.5101	4.2943	4.7967		2.0401	3.2458
N9	2.4000	2.7551	2.2964	1.3302	3.3687	3.8355	3.2458	2.0401		1.3287
N10	2.7551	2.4000	1.3302	2.2964	3.8355	3.3687	2.0401	3.2458	1.3287

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.895	C1	C2	H6	122.228
C1	C4	H8	121.310	C1	C4	N9	123.640
C2	C1	C4	116.895	C2	C1	H5	122.228
C2	C3	H7	121.310	C2	C3	N10	123.640
C3	C2	H6	120.878	C3	N10	N9	119.466
C4	C1	H5	120.878	C4	N9	N10	119.466
H7	C3	N10	115.050	H8	C4	N9	115.050

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B3LYPultrafine/cc-pVTZ

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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Number	Element	Mulliken
1	C	-0.098
2	C	-0.098
3	C	-0.065
4	C	-0.065
5	H	0.128
6	H	0.128
7	H	0.131
8	H	0.131
9	N	-0.097
10	N	-0.097

	x	y	z
x	4.469	0.000	0.000
y	0.000	10.029	-0.004
z	0.000	-0.004	9.204

<r²>	115.433
(<r²>)^1/2	10.744

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)