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	hartrees
Energy at 0K	-263.567100
Energy at 298.15K	-263.572998
HF Energy	-262.699908
Nuclear repulsion energy	207.219044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3220	3089	0.00
2	A_g	1664	1597	0.00
3	A_g	1258	1207	0.00
4	A_g	1046	1003	0.00
5	A_g	605	581	0.00
6	A_u	1001	960	0.00
7	A_u	355	340	0.00
8	B_1g	951	912	0.00
9	B_1u	3198	3068	6.34
10	B_1u	1530	1468	1.15
11	B_1u	1169	1122	4.28
12	B_1u	1040	998	33.63
13	B_2g	985	945	0.00
14	B_2g	764	733	0.00
15	B_2u	3215	3084	57.56
16	B_2u	1447	1389	34.63
17	B_2u	1145	1099	16.73
18	B_2u	1096	1052	13.78
19	B_3g	3197	3068	0.00
20	B_3g	1604	1539	0.00
21	B_3g	1370	1314	0.00
22	B_3g	714	685	0.00
23	B_3u	810	777	26.39
24	B_3u	427	409	19.70

Atom	y (Å)	z (Å)
N1	0.000	1.427
N2	0.000	-1.427
C3	1.134	0.703
C4	-1.134	0.703
C5	-1.134	-0.703
C6	1.134	-0.703
H7	2.079	1.260
H8	-2.079	1.260
H9	-2.079	-1.260
H10	2.079	-1.260

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8544	1.3455	1.3455	2.4131	2.4131	2.0857	2.0857	3.3973	3.3973
N2	2.8544		2.4131	2.4131	1.3455	1.3455	3.3973	3.3973	2.0857	2.0857
C3	1.3455	2.4131		2.2677	2.6681	1.4058	1.0969	3.2607	3.7649	2.1783
C4	1.3455	2.4131	2.2677		1.4058	2.6681	3.2607	1.0969	2.1783	3.7649
C5	2.4131	1.3455	2.6681	1.4058		2.2677	3.7649	2.1783	1.0969	3.2607
C6	2.4131	1.3455	1.4058	2.6681	2.2677		2.1783	3.7649	3.2607	1.0969
H7	2.0857	3.3973	1.0969	3.2607	3.7649	2.1783		4.1579	4.8617	2.5195
H8	2.0857	3.3973	3.2607	1.0969	2.1783	3.7649	4.1579		2.5195	4.8617
H9	3.3973	2.0857	3.7649	2.1783	1.0969	3.2607	4.8617	2.5195		4.1579
H10	3.3973	2.0857	2.1783	3.7649	3.2607	1.0969	2.5195	4.8617	4.1579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.570	N1	C3	H7	116.923
N1	C4	C5	122.570	N1	C4	H8	116.923
N2	C5	C4	122.570	N2	C5	H9	116.923
N2	C6	C3	122.570	N2	C6	H10	116.923
C3	N1	C4	114.860	C3	C6	H10	120.508
C4	C5	H9	120.508	C5	N2	C6	114.860
C5	C4	H8	120.508	C6	C3	H7	120.508

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)