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	hartrees
Energy at 0K	-263.518014
Energy at 298.15K	-263.523919
HF Energy	-262.680536
Nuclear repulsion energy	208.512754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3260	3060	0.00
2	A_g	1694	1590	0.00
3	A_g	1294	1214	0.00
4	A_g	1069	1003	0.00
5	A_g	618	580	0.00
6	A_u	980	920	0.00
7	A_u	366	344	0.00
8	B_1g	956	897	0.00
9	B_1u	3240	3041	5.47
10	B_1u	1566	1470	3.11
11	B_1u	1195	1121	5.47
12	B_1u	1058	993	37.22
13	B_2g	961	902	0.00
14	B_2g	754	708	0.00
15	B_2u	3255	3056	48.93
16	B_2u	1485	1394	38.02
17	B_2u	1168	1096	14.46
18	B_2u	1128	1059	16.49
19	B_3g	3239	3040	0.00
20	B_3g	1637	1537	0.00
21	B_3g	1409	1323	0.00
22	B_3g	729	684	0.00
23	B_3u	813	763	28.46
24	B_3u	433	406	24.41

Atom	y (Å)	z (Å)
N1	0.000	1.413
N2	0.000	-1.413
C3	1.131	0.698
C4	-1.131	0.698
C5	-1.131	-0.698
C6	1.131	-0.698
H7	2.064	1.255
H8	-2.064	1.255
H9	-2.064	-1.255
H10	2.064	-1.255

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8258	1.3386	1.3386	2.3946	2.3946	2.0703	2.0703	3.3729	3.3729
N2	2.8258		2.3946	2.3946	1.3386	1.3386	3.3729	3.3729	2.0703	2.0703
C3	1.3386	2.3946		2.2628	2.6583	1.3951	1.0865	3.2438	3.7447	2.1636
C4	1.3386	2.3946	2.2628		1.3951	2.6583	3.2438	1.0865	2.1636	3.7447
C5	2.3946	1.3386	2.6583	1.3951		2.2628	3.7447	2.1636	1.0865	3.2438
C6	2.3946	1.3386	1.3951	2.6583	2.2628		2.1636	3.7447	3.2438	1.0865
H7	2.0703	3.3729	1.0865	3.2438	3.7447	2.1636		4.1284	4.8312	2.5093
H8	2.0703	3.3729	3.2438	1.0865	2.1636	3.7447	4.1284		2.5093	4.8312
H9	3.3729	2.0703	3.7447	2.1636	1.0865	3.2438	4.8312	2.5093		4.1284
H10	3.3729	2.0703	2.1636	3.7447	3.2438	1.0865	2.5093	4.8312	4.1284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.304	N1	C3	H7	116.847
N1	C4	C5	122.304	N1	C4	H8	116.847
N2	C5	C4	122.304	N2	C5	H9	116.847
N2	C6	C3	122.304	N2	C6	H10	116.847
C3	N1	C4	115.391	C3	C6	H10	120.849
C4	C5	H9	120.849	C5	N2	C6	115.391
C5	C4	H8	120.849	C6	C3	H7	120.849

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)