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	hartrees
Energy at 0K	-263.534670
Energy at 298.15K	-263.540532
HF Energy	-262.686524
Nuclear repulsion energy	208.026519

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3273	3065	0.00
2	A_g	1643	1539	0.00
3	A_g	1277	1196	0.00
4	A_g	1041	975	0.00
5	A_g	604	565	0.00
6	A_u	969	908	0.00
7	A_u	343	321	0.00
8	B_1g	949	889	0.00
9	B_1u	3253	3047	6.50
10	B_1u	1533	1436	2.80
11	B_1u	1174	1100	2.76
12	B_1u	1039	973	36.17
13	B_2g	959	898	0.00
14	B_2g	742	695	0.00
15	B_2u	3268	3060	52.51
16	B_2u	1471	1378	31.41
17	B_2u	1364	1277	0.06
18	B_2u	1110	1039	12.47
19	B_3g	3252	3046	0.00
20	B_3g	1590	1489	0.00
21	B_3g	1394	1306	0.00
22	B_3g	717	671	0.00
23	B_3u	806	754	22.68
24	B_3u	423	396	23.69

Atom	y (Å)	z (Å)
N1	0.000	1.418
N2	0.000	-1.418
C3	1.135	0.698
C4	-1.135	0.698
C5	-1.135	-0.698
C6	1.135	-0.698
H7	2.065	1.253
H8	-2.065	1.253
H9	-2.065	-1.253
H10	2.065	-1.253

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8352	1.3443	1.3443	2.4007	2.4007	2.0719	2.0719	3.3763	3.3763
N2	2.8352		2.4007	2.4007	1.3443	1.3443	3.3763	3.3763	2.0719	2.0719
C3	1.3443	2.4007		2.2705	2.6650	1.3953	1.0834	3.2485	3.7484	2.1613
C4	1.3443	2.4007	2.2705		1.3953	2.6650	3.2485	1.0834	2.1613	3.7484
C5	2.4007	1.3443	2.6650	1.3953		2.2705	3.7484	2.1613	1.0834	3.2485
C6	2.4007	1.3443	1.3953	2.6650	2.2705		2.1613	3.7484	3.2485	1.0834
H7	2.0719	3.3763	1.0834	3.2485	3.7484	2.1613		4.1307	4.8318	2.5066
H8	2.0719	3.3763	3.2485	1.0834	2.1613	3.7484	4.1307		2.5066	4.8318
H9	3.3763	2.0719	3.7484	2.1613	1.0834	3.2485	4.8318	2.5066		4.1307
H10	3.3763	2.0719	2.1613	3.7484	3.2485	1.0834	2.5066	4.8318	4.1307

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.381	N1	C3	H7	116.765
N1	C4	C5	122.381	N1	C4	H8	116.765
N2	C5	C4	122.381	N2	C5	H9	116.765
N2	C6	C3	122.381	N2	C6	H10	116.765
C3	N1	C4	115.238	C3	C6	H10	120.854
C4	C5	H9	120.854	C5	N2	C6	115.238
C5	C4	H8	120.854	C6	C3	H7	120.854

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)