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	hartrees
Energy at 0K	-263.150811
Energy at 298.15K	-263.156615
HF Energy	-262.549168
Nuclear repulsion energy	205.137514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3199	3082	0.00
2	A_g	1593	1535	0.00
3	A_g	1262	1217	0.00
4	A_g	1010	973	0.00
5	A_g	618	595	0.00
6	A_u	952	917	0.00
7	A_u	341	329	0.00
8	B_1g	927	893	0.00
9	B_1u	3175	3060	10.04
10	B_1u	1506	1451	9.85
11	B_1u	1149	1108	0.20
12	B_1u	1019	982	28.21
13	B_2g	936	902	0.00
14	B_2g	737	711	0.00
15	B_2u	3191	3075	52.89
16	B_2u	1438	1386	30.33
17	B_2u	1106	1066	23.63
18	B_2u	1064	1026	0.37
19	B_3g	3172	3057	0.00
20	B_3g	1529	1473	0.00
21	B_3g	1382	1332	0.00
22	B_3g	713	687	0.00
23	B_3u	787	758	30.94
24	B_3u	428	413	29.21

Atom	y (Å)	z (Å)
N1	0.000	1.425
N2	0.000	-1.425
C3	1.162	0.705
C4	-1.162	0.705
C5	-1.162	-0.705
C6	1.162	-0.705
H7	2.091	1.276
H8	-2.091	1.276
H9	-2.091	-1.276
H10	2.091	-1.276

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8496	1.3664	1.3664	2.4264	2.4264	2.0966	2.0966	3.4157	3.4157
N2	2.8496		2.4264	2.4264	1.3664	1.3664	3.4157	3.4157	2.0966	2.0966
C3	1.3664	2.4264		2.3235	2.7182	1.4108	1.0907	3.3027	3.8089	2.1885
C4	1.3664	2.4264	2.3235		1.4108	2.7182	3.3027	1.0907	2.1885	3.8089
C5	2.4264	1.3664	2.7182	1.4108		2.3235	3.8089	2.1885	1.0907	3.3027
C6	2.4264	1.3664	1.4108	2.7182	2.3235		2.1885	3.8089	3.3027	1.0907
H7	2.0966	3.4157	1.0907	3.3027	3.8089	2.1885		4.1827	4.8996	2.5516
H8	2.0966	3.4157	3.3027	1.0907	2.1885	3.8089	4.1827		2.5516	4.8996
H9	3.4157	2.0966	3.8089	2.1885	1.0907	3.3027	4.8996	2.5516		4.1827
H10	3.4157	2.0966	2.1885	3.8089	3.3027	1.0907	2.5516	4.8996	4.1827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	121.768	N1	C3	H7	116.698
N1	C4	C5	121.768	N1	C4	H8	116.698
N2	C5	C4	121.768	N2	C5	H9	116.698
N2	C6	C3	121.768	N2	C6	H10	116.698
C3	N1	C4	116.464	C3	C6	H10	121.534
C4	C5	H9	121.534	C5	N2	C6	116.464
C5	C4	H8	121.534	C6	C3	H7	121.534

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: QCISD/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: QCISD/6-31G

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)