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	hartrees
Energy at 0K	-264.002403
Energy at 298.15K	-264.008131
Nuclear repulsion energy	207.237870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3110	3068	0.00
2	A_g	1576	1554	0.00
3	A_g	1224	1207	0.00
4	A_g	1017	1003	0.00
5	A_g	586	578	0.00
6	A_u	953	940	0.00
7	A_u	310	306	0.00
8	B_1g	913	901	0.00
9	B_1u	3089	3047	10.58
10	B_1u	1472	1452	1.55
11	B_1u	1139	1123	4.72
12	B_1u	997	984	32.95
13	B_2g	948	935	0.00
14	B_2g	753	743	0.00
15	B_2u	3104	3061	77.77
16	B_2u	1408	1389	27.35
17	B_2u	1256	1239	0.27
18	B_2u	1065	1050	9.14
19	B_3g	3089	3047	0.00
20	B_3g	1542	1521	0.00
21	B_3g	1334	1315	0.00
22	B_3g	699	689	0.00
23	B_3u	773	762	20.26
24	B_3u	409	403	19.28

Atom	y (Å)	z (Å)
N1	0.000	1.422
N2	0.000	-1.422
C3	1.137	0.702
C4	-1.137	0.702
C5	-1.137	-0.702
C6	1.137	-0.702
H7	2.080	1.264
H8	-2.080	1.264
H9	-2.080	-1.264
H10	2.080	-1.264

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8435	1.3461	1.3461	2.4089	2.4089	2.0856	2.0856	3.3965	3.3965
N2	2.8435		2.4089	2.4089	1.3461	1.3461	3.3965	3.3965	2.0856	2.0856
C3	1.3461	2.4089		2.2747	2.6728	1.4035	1.0971	3.2657	3.7699	2.1797
C4	1.3461	2.4089	2.2747		1.4035	2.6728	3.2657	1.0971	2.1797	3.7699
C5	2.4089	1.3461	2.6728	1.4035		2.2747	3.7699	2.1797	1.0971	3.2657
C6	2.4089	1.3461	1.4035	2.6728	2.2747		2.1797	3.7699	3.2657	1.0971
H7	2.0856	3.3965	1.0971	3.2657	3.7699	2.1797		4.1592	4.8669	2.5274
H8	2.0856	3.3965	3.2657	1.0971	2.1797	3.7699	4.1592		2.5274	4.8669
H9	3.3965	2.0856	3.7699	2.1797	1.0971	3.2657	4.8669	2.5274		4.1592
H10	3.3965	2.0856	2.1797	3.7699	3.2657	1.0971	2.5274	4.8669	4.1592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.336	N1	C3	H7	116.852
N1	C4	C5	122.336	N1	C4	H8	116.852
N2	C5	C4	122.336	N2	C5	H9	116.852
N2	C6	C3	122.336	N2	C6	H10	116.852
C3	N1	C4	115.327	C3	C6	H10	120.812
C4	C5	H9	120.812	C5	N2	C6	115.327
C5	C4	H8	120.812	C6	C3	H7	120.812

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	N	-0.374
2	N	-0.374
3	C	0.067
4	C	0.067
5	C	0.067
6	C	0.067
7	H	0.120
8	H	0.120
9	H	0.120
10	H	0.120

<r²>	116.121
(<r²>)^1/2	10.776

All results from a given calculation for C4H4N2 (Pyrazine)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)