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	hartrees
Energy at 0K	-263.372902
Energy at 298.15K	-263.378964
HF Energy	-262.682560
Nuclear repulsion energy	210.033277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3335	3081	0.00
2	A_g	1754	1620	0.00
3	A_g	1328	1227	0.00
4	A_g	1106	1022	0.00
5	A_g	633	585	0.00
6	A_u	1051	971	0.00
7	A_u	391	361	0.00
8	B_1g	1002	926	0.00
9	B_1u	3313	3061	5.84
10	B_1u	1616	1493	2.17
11	B_1u	1231	1137	7.39
12	B_1u	1086	1003	38.50
13	B_2g	1029	950	0.00
14	B_2g	797	736	0.00
15	B_2u	3329	3075	54.04
16	B_2u	1528	1412	42.34
17	B_2u	1207	1115	10.85
18	B_2u	1155	1067	27.80
19	B_3g	3312	3060	0.00
20	B_3g	1711	1581	0.00
21	B_3g	1450	1339	0.00
22	B_3g	752	695	0.00
23	B_3u	855	790	26.95
24	B_3u	459	424	26.77

Atom	y (Å)	z (Å)
N1	0.000	1.397
N2	0.000	-1.397
C3	1.125	0.694
C4	-1.125	0.694
C5	-1.125	-0.694
C6	1.125	-0.694
H7	2.052	1.249
H8	-2.052	1.249
H9	-2.052	-1.249
H10	2.052	-1.249

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.7947	1.3271	1.3271	2.3747	2.3747	2.0575	2.0575	3.3488	3.3488
N2	2.7947		2.3747	2.3747	1.3271	1.3271	3.3488	3.3488	2.0575	2.0575
C3	1.3271	2.3747		2.2505	2.6439	1.3876	1.0804	3.2256	3.7243	2.1526
C4	1.3271	2.3747	2.2505		1.3876	2.6439	3.2256	1.0804	2.1526	3.7243
C5	2.3747	1.3271	2.6439	1.3876		2.2505	3.7243	2.1526	1.0804	3.2256
C6	2.3747	1.3271	1.3876	2.6439	2.2505		2.1526	3.7243	3.2256	1.0804
H7	2.0575	3.3488	1.0804	3.2256	3.7243	2.1526		4.1043	4.8047	2.4980
H8	2.0575	3.3488	3.2256	1.0804	2.1526	3.7243	4.1043		2.4980	4.8047
H9	3.3488	2.0575	3.7243	2.1526	1.0804	3.2256	4.8047	2.4980		4.1043
H10	3.3488	2.0575	2.1526	3.7243	3.2256	1.0804	2.4980	4.8047	4.1043

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.015	N1	C3	H7	117.064
N1	C4	C5	122.015	N1	C4	H8	117.064
N2	C5	C4	122.015	N2	C5	H9	117.064
N2	C6	C3	122.015	N2	C6	H10	117.064
C3	N1	C4	115.971	C3	C6	H10	120.921
C4	C5	H9	120.921	C5	N2	C6	115.971
C5	C4	H8	120.921	C6	C3	H7	120.921

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: CID/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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All results from a given calculation for C4H4N2 (Pyrazine)

using model chemistry: CID/6-31G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)