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	hartrees
Energy at 0K	-263.566492
Energy at 298.15K	-263.572361
HF Energy	-262.695092
Nuclear repulsion energy	208.381806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3278	3088	0.00
2	A_g	1683	1586	0.00
3	A_g	1286	1212	0.00
4	A_g	1059	997	0.00
5	A_g	615	579	0.00
6	A_u	967	911	0.00
7	A_u	353	333	0.00
8	B_1g	947	893	0.00
9	B_1u	3258	3070	2.56
10	B_1u	1558	1468	0.37
11	B_1u	1188	1120	6.68
12	B_1u	1054	993	27.40
13	B_2g	938	884	0.00
14	B_2g	708	667	0.00
15	B_2u	3273	3084	50.86
16	B_2u	1477	1392	35.04
17	B_2u	1182	1114	17.99
18	B_2u	1119	1054	16.00
19	B_3g	3257	3069	0.00
20	B_3g	1631	1537	0.00
21	B_3g	1405	1324	0.00
22	B_3g	724	682	0.00
23	B_3u	806	760	35.25
24	B_3u	425	401	25.66

Atom	y (Å)	z (Å)
N1	0.000	1.414
N2	0.000	-1.414
C3	1.133	0.699
C4	-1.133	0.699
C5	-1.133	-0.699
C6	1.133	-0.699
H7	2.063	1.252
H8	-2.063	1.252
H9	-2.063	-1.252
H10	2.063	-1.252

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8273	1.3399	1.3399	2.3969	2.3969	2.0693	2.0693	3.3710	3.3710
N2	2.8273		2.3969	2.3969	1.3399	1.3399	3.3710	3.3710	2.0693	2.0693
C3	1.3399	2.3969		2.2661	2.6621	1.3970	1.0824	3.2437	3.7444	2.1611
C4	1.3399	2.3969	2.2661		1.3970	2.6621	3.2437	1.0824	2.1611	3.7444
C5	2.3969	1.3399	2.6621	1.3970		2.2661	3.7444	2.1611	1.0824	3.2437
C6	2.3969	1.3399	1.3970	2.6621	2.2661		2.1611	3.7444	3.2437	1.0824
H7	2.0693	3.3710	1.0824	3.2437	3.7444	2.1611		4.1261	4.8267	2.5046
H8	2.0693	3.3710	3.2437	1.0824	2.1611	3.7444	4.1261		2.5046	4.8267
H9	3.3710	2.0693	3.7444	2.1611	1.0824	3.2437	4.8267	2.5046		4.1261
H10	3.3710	2.0693	2.1611	3.7444	3.2437	1.0824	2.5046	4.8267	4.1261

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.259	N1	C3	H7	116.969
N1	C4	C5	122.259	N1	C4	H8	116.969
N2	C5	C4	122.259	N2	C5	H9	116.969
N2	C6	C3	122.259	N2	C6	H10	116.969
C3	N1	C4	115.483	C3	C6	H10	120.772
C4	C5	H9	120.772	C5	N2	C6	115.483
C5	C4	H8	120.772	C6	C3	H7	120.772

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: CCD/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)