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	hartrees
Energy at 0K	-261.787913
Energy at 298.15K	-261.793788
HF Energy	-261.190620
Nuclear repulsion energy	205.674146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3192	3068	0.00
2	A_g	1557	1496	0.00
3	A_g	1265	1216	0.00
4	A_g	996	957	0.00
5	A_g	628	603	0.00
6	A_u	1017	977	0.00
7	A_u	353	339	0.00
8	B_1g	960	923	0.00
9	B_1u	3167	3044	13.42
10	B_1u	1507	1449	15.39
11	B_1u	1155	1110	1.66
12	B_1u	1005	966	27.75
13	B_2g	1008	968	0.00
14	B_2g	783	753	0.00
15	B_2u	3183	3059	46.79
16	B_2u	1441	1385	22.93
17	B_2u	1089	1047	17.94
18	B_2u	974	936	1.11
19	B_3g	3163	3040	0.00
20	B_3g	1485	1427	0.00
21	B_3g	1389	1335	0.00
22	B_3g	725	697	0.00
23	B_3u	816	784	33.87
24	B_3u	441	424	23.46

Atom	y (Å)	z (Å)
N1	0.000	1.423
N2	0.000	-1.423
C3	1.159	0.701
C4	-1.159	0.701
C5	-1.159	-0.701
C6	1.159	-0.701
H7	2.091	1.263
H8	-2.091	1.263
H9	-2.091	-1.263
H10	2.091	-1.263

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8451	1.3651	1.3651	2.4195	2.4195	2.0966	2.0966	3.4029	3.4029
N2	2.8451		2.4195	2.4195	1.3651	1.3651	3.4029	3.4029	2.0966	2.0966
C3	1.3651	2.4195		2.3181	2.7093	1.4025	1.0875	3.2977	3.7969	2.1735
C4	1.3651	2.4195	2.3181		1.4025	2.7093	3.2977	1.0875	2.1735	3.7969
C5	2.4195	1.3651	2.7093	1.4025		2.3181	3.7969	2.1735	1.0875	3.2977
C6	2.4195	1.3651	1.4025	2.7093	2.3181		2.1735	3.7969	3.2977	1.0875
H7	2.0966	3.4029	1.0875	3.2977	3.7969	2.1735		4.1810	4.8844	2.5251
H8	2.0966	3.4029	3.2977	1.0875	2.1735	3.7969	4.1810		2.5251	4.8844
H9	3.4029	2.0966	3.7969	2.1735	1.0875	3.2977	4.8844	2.5251		4.1810
H10	3.4029	2.0966	2.1735	3.7969	3.2977	1.0875	2.5251	4.8844	4.1810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	121.895	N1	C3	H7	117.031
N1	C4	C5	121.895	N1	C4	H8	117.031
N2	C5	C4	121.895	N2	C5	H9	117.031
N2	C6	C3	121.895	N2	C6	H10	117.031
C3	N1	C4	116.210	C3	C6	H10	121.074
C4	C5	H9	121.074	C5	N2	C6	116.210
C5	C4	H8	121.074	C6	C3	H7	121.074

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)