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	hartrees
Energy at 0K	-262.558775
Energy at 298.15K	-262.564765
HF Energy	-262.558775
Nuclear repulsion energy	207.888315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3243	3124	0.00
2	A_g	1588	1530	0.00
3	A_g	1278	1231	0.00
4	A_g	1041	1003	0.00
5	A_g	630	607	0.00
6	A_u	1063	1024	0.00
7	A_u	350	337	0.00
8	B_1g	984	948	0.00
9	B_1u	3218	3100	9.89
10	B_1u	1517	1461	18.54
11	B_1u	1175	1132	0.11
12	B_1u	1025	987	31.11
13	B_2g	1059	1020	0.00
14	B_2g	815	785	0.00
15	B_2u	3233	3115	45.74
16	B_2u	1454	1401	30.87
17	B_2u	1203	1159	2.36
18	B_2u	1096	1055	8.97
19	B_3g	3214	3096	0.00
20	B_3g	1542	1485	0.00
21	B_3g	1405	1354	0.00
22	B_3g	737	710	0.00
23	B_3u	838	808	42.64
24	B_3u	453	436	23.96

Atom	y (Å)	z (Å)
N1	0.000	1.403
N2	0.000	-1.403
C3	1.146	0.695
C4	-1.146	0.695
C5	-1.146	-0.695
C6	1.146	-0.695
H7	2.076	1.253
H8	-2.076	1.253
H9	-2.076	-1.253
H10	2.076	-1.253

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8068	1.3475	1.3475	2.3914	2.3914	2.0810	2.0810	3.3710	3.3710
N2	2.8068		2.3914	2.3914	1.3475	1.3475	3.3710	3.3710	2.0810	2.0810
C3	1.3475	2.3914		2.2928	2.6816	1.3906	1.0836	3.2699	3.7652	2.1584
C4	1.3475	2.3914	2.2928		1.3906	2.6816	3.2699	1.0836	2.1584	3.7652
C5	2.3914	1.3475	2.6816	1.3906		2.2928	3.7652	2.1584	1.0836	3.2699
C6	2.3914	1.3475	1.3906	2.6816	2.2928		2.1584	3.7652	3.2699	1.0836
H7	2.0810	3.3710	1.0836	3.2699	3.7652	2.1584		4.1511	4.8488	2.5058
H8	2.0810	3.3710	3.2699	1.0836	2.1584	3.7652	4.1511		2.5058	4.8488
H9	3.3710	2.0810	3.7652	2.1584	1.0836	3.2699	4.8488	2.5058		4.1511
H10	3.3710	2.0810	2.1584	3.7652	3.2699	1.0836	2.5058	4.8488	4.1511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	121.703	N1	C3	H7	117.329
N1	C4	C5	121.703	N1	C4	H8	117.329
N2	C5	C4	121.703	N2	C5	H9	117.329
N2	C6	C3	121.703	N2	C6	H10	117.329
C3	N1	C4	116.595	C3	C6	H10	120.968
C4	C5	H9	120.968	C5	N2	C6	116.595
C5	C4	H8	120.968	C6	C3	H7	120.968

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: HSEh1PBE/3-21G

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 C4H4N2 (Pyrazine)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)