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	hartrees
Energy at 0K	-264.046480
Energy at 298.15K	-264.052386
HF Energy	-264.046480
Nuclear repulsion energy	209.024488

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3218	3073	0.00
2	A_g	1651	1576	0.00
3	A_g	1263	1206	0.00
4	A_g	1057	1010	0.00
5	A_g	607	580	0.00
6	A_u	1003	958	0.00
7	A_u	348	333	0.00
8	B_1g	949	906	0.00
9	B_1u	3198	3054	2.49
10	B_1u	1529	1460	0.28
11	B_1u	1179	1125	10.44
12	B_1u	1036	989	28.33
13	B_2g	989	944	0.00
14	B_2g	775	740	0.00
15	B_2u	3213	3067	59.52
16	B_2u	1454	1388	35.07
17	B_2u	1280	1222	4.10
18	B_2u	1102	1053	9.88
19	B_3g	3198	3053	0.00
20	B_3g	1625	1552	0.00
21	B_3g	1376	1314	0.00
22	B_3g	722	689	0.00
23	B_3u	807	770	34.35
24	B_3u	432	412	25.25

Atom	y (Å)	z (Å)
N1	0.000	1.405
N2	0.000	-1.405
C3	1.130	0.697
C4	-1.130	0.697
C5	-1.130	-0.697
C6	1.130	-0.697
H7	2.063	1.255
H8	-2.063	1.255
H9	-2.063	-1.255
H10	2.063	-1.255

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8098	1.3329	1.3329	2.3866	2.3866	2.0688	2.0688	3.3664	3.3664
N2	2.8098		2.3866	2.3866	1.3329	1.3329	3.3664	3.3664	2.0688	2.0688
C3	1.3329	2.3866		2.2593	2.6551	1.3948	1.0876	3.2413	3.7426	2.1642
C4	1.3329	2.3866	2.2593		1.3948	2.6551	3.2413	1.0876	2.1642	3.7426
C5	2.3866	1.3329	2.6551	1.3948		2.2593	3.7426	2.1642	1.0876	3.2413
C6	2.3866	1.3329	1.3948	2.6551	2.2593		2.1642	3.7426	3.2413	1.0876
H7	2.0688	3.3664	1.0876	3.2413	3.7426	2.1642		4.1267	4.8301	2.5101
H8	2.0688	3.3664	3.2413	1.0876	2.1642	3.7426	4.1267		2.5101	4.8301
H9	3.3664	2.0688	3.7426	2.1642	1.0876	3.2413	4.8301	2.5101		4.1267
H10	3.3664	2.0688	2.1642	3.7426	3.2413	1.0876	2.5101	4.8301	4.1267

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.060	N1	C3	H7	117.091
N1	C4	C5	122.060	N1	C4	H8	117.091
N2	C5	C4	122.060	N2	C5	H9	117.091
N2	C6	C3	122.060	N2	C6	H10	117.091
C3	N1	C4	115.880	C3	C6	H10	120.849
C4	C5	H9	120.849	C5	N2	C6	115.880
C5	C4	H8	120.849	C6	C3	H7	120.849

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	N	-0.166
2	N	-0.166
3	C	-0.082
4	C	-0.082
5	C	-0.082
6	C	-0.082
7	H	0.165
8	H	0.165
9	H	0.165
10	H	0.165

<r²>	115.034
(<r²>)^1/2	10.725

All results from a given calculation for C4H4N2 (Pyrazine)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)