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	hartrees
Energy at 0K	-263.558922
Energy at 298.15K	-263.564858
HF Energy	-262.700499
Nuclear repulsion energy	207.489214

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3230	3090	0.00
2	A_g	1678	1605	0.00
3	A_g	1264	1209	0.00
4	A_g	1055	1009	0.00
5	A_g	608	581	0.00
6	A_u	1007	963	0.00
7	A_u	368	352	0.00
8	B_1g	955	914	0.00
9	B_1u	3208	3069	5.82
10	B_1u	1540	1473	1.16
11	B_1u	1177	1126	4.04
12	B_1u	1051	1005	36.49
13	B_2g	989	947	0.00
14	B_2g	768	735	0.00
15	B_2u	3225	3085	52.84
16	B_2u	1455	1392	35.52
17	B_2u	1175	1124	14.36
18	B_2u	1104	1056	11.91
19	B_3g	3207	3068	0.00
20	B_3g	1617	1547	0.00
21	B_3g	1375	1315	0.00
22	B_3g	718	687	0.00
23	B_3u	814	779	26.38
24	B_3u	431	412	20.12

Atom	y (Å)	z (Å)
N1	0.000	1.425
N2	0.000	-1.425
C3	1.132	0.702
C4	-1.132	0.702
C5	-1.132	-0.702
C6	1.132	-0.702
H7	2.077	1.258
H8	-2.077	1.258
H9	-2.077	-1.258
H10	2.077	-1.258

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8503	1.3434	1.3434	2.4098	2.4098	2.0838	2.0838	3.3935	3.3935
N2	2.8503		2.4098	2.4098	1.3434	1.3434	3.3935	3.3935	2.0838	2.0838
C3	1.3434	2.4098		2.2644	2.6645	1.4042	1.0965	3.2572	3.7607	2.1763
C4	1.3434	2.4098	2.2644		1.4042	2.6645	3.2572	1.0965	2.1763	3.7607
C5	2.4098	1.3434	2.6645	1.4042		2.2644	3.7607	2.1763	1.0965	3.2572
C6	2.4098	1.3434	1.4042	2.6645	2.2644		2.1763	3.7607	3.2572	1.0965
H7	2.0838	3.3935	1.0965	3.2572	3.7607	2.1763		4.1542	4.8571	2.5168
H8	2.0838	3.3935	3.2572	1.0965	2.1763	3.7607	4.1542		2.5168	4.8571
H9	3.3935	2.0838	3.7607	2.1763	1.0965	3.2572	4.8571	2.5168		4.1542
H10	3.3935	2.0838	2.1763	3.7607	3.2572	1.0965	2.5168	4.8571	4.1542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.563	N1	C3	H7	116.951
N1	C4	C5	122.563	N1	C4	H8	116.951
N2	C5	C4	122.563	N2	C5	H9	116.951
N2	C6	C3	122.563	N2	C6	H10	116.951
C3	N1	C4	114.874	C3	C6	H10	120.486
C4	C5	H9	120.486	C5	N2	C6	114.874
C5	C4	H8	120.486	C6	C3	H7	120.486

All results from a given calculation for C₄H₄N₂ (Pyrazine)

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

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)