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	hartrees
Energy at 0K	-264.287588
Energy at 298.15K	-264.293395
Nuclear repulsion energy	207.594575

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3220	3092	8.88
2	A₁	3195	3069	1.85
3	A₁	1626	1561	6.18
4	A₁	1493	1434	0.80
5	A₁	1205	1157	0.00
6	A₁	1181	1135	0.00
7	A₁	1100	1057	10.84
8	A₁	1015	975	8.45
9	A₁	682	655	2.94
10	A₂	1016	976	0.00
11	A₂	947	909	0.00
12	A₂	768	737	0.00
13	A₂	376	361	0.00
14	B₁	978	939	0.01
15	B₁	765	735	30.32
16	B₁	378	363	8.70
17	B₂	3207	3080	27.02
18	B₂	3190	3064	8.96
19	B₂	1620	1556	3.74
20	B₂	1453	1395	16.92
21	B₂	1324	1271	2.29
22	B₂	1091	1048	1.56
23	B₂	1055	1014	1.39
24	B₂	632	607	0.01

Atom	y (Å)	z (Å)
C1	0.692	1.181
C2	-0.692	1.181
C3	-1.323	-0.068
C4	1.323	-0.068
H5	1.272	2.099
H6	-1.272	2.099
H7	-2.407	-0.152
H8	2.407	-0.152
N9	0.668	-1.232
N10	-0.668	-1.232

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3840	2.3705	1.3990	1.0861	2.1681	3.3736	2.1722	2.4133	2.7702
C2	1.3840		1.3990	2.3705	2.1681	1.0861	2.1722	3.3736	2.7702	2.4133
C3	2.3705	1.3990		2.6459	3.3807	2.1674	1.0875	3.7311	2.3068	1.3359
C4	1.3990	2.3705	2.6459		2.1674	3.3807	3.7311	1.0875	1.3359	2.3068
H5	1.0861	2.1681	3.3807	2.1674		2.5441	4.3133	2.5211	3.3856	3.8553
H6	2.1681	1.0861	2.1674	3.3807	2.5441		2.5211	4.3133	3.8553	3.3856
H7	3.3736	2.1722	1.0875	3.7311	4.3133	2.5211		4.8143	3.2597	2.0471
H8	2.1722	3.3736	3.7311	1.0875	2.5211	4.3133	4.8143		2.0471	3.2597
N9	2.4133	2.7702	2.3068	1.3359	3.3856	3.8553	3.2597	2.0471		1.3367
N10	2.7702	2.4133	1.3359	2.3068	3.8553	3.3856	2.0471	3.2597	1.3367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.809	C1	C2	H6	122.282
C1	C4	H8	121.255	C1	C4	N9	123.850
C2	C1	C4	116.809	C2	C1	H5	122.282
C2	C3	H7	121.255	C2	C3	N10	123.850
C3	C2	H6	120.909	C3	N10	N9	119.341
C4	C1	H5	120.909	C4	N9	N10	119.341
H7	C3	N10	114.895	H8	C4	N9	114.895

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B3LYP/6-31G*

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	CHELPG	ESP
1	C	-0.115	-0.136	-0.192
2	C	-0.115	-0.136	-0.192
3	C	0.042	0.353	0.391
4	C	0.042	0.353	0.391
5	H	0.157	0.104	0.132
6	H	0.157	0.104	0.132
7	H	0.160	-0.018	-0.014
8	H	0.160	-0.018	-0.014
9	N	-0.243	-0.303	-0.317
10	N	-0.243	-0.303	-0.317

	x	y	z	Total
	0.000	0.000	4.115	4.115
CHELPG	0.000	0.000	3.923	3.923
AIM
ESP	0.000	0.000	4.004	4.004

<r²>	115.963
(<r²>)^1/2	10.769

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)