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	hartrees
Energy at 0K	-263.554164
Energy at 298.15K	-263.560049
HF Energy	-262.699535
Nuclear repulsion energy	207.106678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3236	3076	0.00
2	A_g	1631	1550	0.00
3	A_g	1253	1191	0.00
4	A_g	1033	982	0.00
5	A_g	596	567	0.00
6	A_u	992	943	0.00
7	A_u	348	331	0.00
8	B_1g	948	901	0.00
9	B_1u	3215	3056	5.18
10	B_1u	1507	1432	2.09
11	B_1u	1162	1104	3.25
12	B_1u	1035	984	37.65
13	B_2g	980	932	0.00
14	B_2g	766	728	0.00
15	B_2u	3231	3071	50.08
16	B_2u	1451	1379	30.42
17	B_2u	1364	1296	0.62
18	B_2u	1090	1036	9.28
19	B_3g	3215	3055	0.00
20	B_3g	1571	1494	0.00
21	B_3g	1361	1294	0.00
22	B_3g	708	673	0.00
23	B_3u	806	766	26.98
24	B_3u	421	400	20.14

Atom	y (Å)	z (Å)
N1	0.000	1.430
N2	0.000	-1.430
C3	1.135	0.702
C4	-1.135	0.702
C5	-1.135	-0.702
C6	1.135	-0.702
H7	2.078	1.259
H8	-2.078	1.259
H9	-2.078	-1.259
H10	2.078	-1.259

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8592	1.3482	1.3482	2.4145	2.4145	2.0850	2.0850	3.3978	3.3978
N2	2.8592		2.4145	2.4145	1.3482	1.3482	3.3978	3.3978	2.0850	2.0850
C3	1.3482	2.4145		2.2696	2.6684	1.4034	1.0954	3.2607	3.7637	2.1755
C4	1.3482	2.4145	2.2696		1.4034	2.6684	3.2607	1.0954	2.1755	3.7637
C5	2.4145	1.3482	2.6684	1.4034		2.2696	3.7637	2.1755	1.0954	3.2607
C6	2.4145	1.3482	1.4034	2.6684	2.2696		2.1755	3.7637	3.2607	1.0954
H7	2.0850	3.3978	1.0954	3.2607	3.7637	2.1755		4.1560	4.8590	2.5174
H8	2.0850	3.3978	3.2607	1.0954	2.1755	3.7637	4.1560		2.5174	4.8590
H9	3.3978	2.0850	3.7637	2.1755	1.0954	3.2607	4.8590	2.5174		4.1560
H10	3.3978	2.0850	2.1755	3.7637	3.2607	1.0954	2.5174	4.8590	4.1560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.678	N1	C3	H7	116.757
N1	C4	C5	122.678	N1	C4	H8	116.757
N2	C5	C4	122.678	N2	C5	H9	116.757
N2	C6	C3	122.678	N2	C6	H10	116.757
C3	N1	C4	114.644	C3	C6	H10	120.565
C4	C5	H9	120.565	C5	N2	C6	114.644
C5	C4	H8	120.565	C6	C3	H7	120.565

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: MP2=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)