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	hartrees
Energy at 0K	-262.739968
Energy at 298.15K	-262.746193
Nuclear repulsion energy	211.149988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3354	3047	0.00
2	A_g	1794	1630	0.00
3	A_g	1347	1224	0.00
4	A_g	1121	1018	0.00
5	A_g	654	595	0.00
6	A_u	1120	1017	0.00
7	A_u	425	386	0.00
8	B_1g	1042	946	0.00
9	B_1u	3330	3025	5.77
10	B_1u	1654	1503	1.09
11	B_1u	1252	1138	10.64
12	B_1u	1120	1018	40.43
13	B_2g	1096	996	0.00
14	B_2g	838	761	0.00
15	B_2u	3348	3041	67.26
16	B_2u	1557	1414	48.02
17	B_2u	1186	1078	0.79
18	B_2u	1087	987	61.82
19	B_3g	3329	3024	0.00
20	B_3g	1749	1589	0.00
21	B_3g	1482	1346	0.00
22	B_3g	776	705	0.00
23	B_3u	892	810	34.93
24	B_3u	485	441	27.41

Atom	y (Å)	z (Å)
N1	0.000	1.385
N2	0.000	-1.385
C3	1.121	0.693
C4	-1.121	0.693
C5	-1.121	-0.693
C6	1.121	-0.693
H7	2.044	1.245
H8	-2.044	1.245
H9	-2.044	-1.245
H10	2.044	-1.245

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.7706	1.3174	1.3174	2.3609	2.3609	2.0485	2.0485	3.3306	3.3306
N2	2.7706		2.3609	2.3609	1.3174	1.3174	3.3306	3.3306	2.0485	2.0485
C3	1.3174	2.3609		2.2413	2.6349	1.3854	1.0754	3.2120	3.7102	2.1459
C4	1.3174	2.3609	2.2413		1.3854	2.6349	3.2120	1.0754	2.1459	3.7102
C5	2.3609	1.3174	2.6349	1.3854		2.2413	3.7102	2.1459	1.0754	3.2120
C6	2.3609	1.3174	1.3854	2.6349	2.2413		2.1459	3.7102	3.2120	1.0754
H7	2.0485	3.3306	1.0754	3.2120	3.7102	2.1459		4.0872	4.7856	2.4892
H8	2.0485	3.3306	3.2120	1.0754	2.1459	3.7102	4.0872		2.4892	4.7856
H9	3.3306	2.0485	3.7102	2.1459	1.0754	3.2120	4.7856	2.4892		4.0872
H10	3.3306	2.0485	2.1459	3.7102	3.2120	1.0754	2.4892	4.7856	4.0872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	121.717	N1	C3	H7	117.404
N1	C4	C5	121.717	N1	C4	H8	117.404
N2	C5	C4	121.717	N2	C5	H9	117.404
N2	C6	C3	121.717	N2	C6	H10	117.404
C3	N1	C4	116.565	C3	C6	H10	120.878
C4	C5	H9	120.878	C5	N2	C6	116.565
C5	C4	H8	120.878	C6	C3	H7	120.878

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: HF/6-311G**

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	-0.320
2	N	-0.320
3	C	0.043
4	C	0.043
5	C	0.043
6	C	0.043
7	H	0.117
8	H	0.117
9	H	0.117
10	H	0.117

<r²>	113.091
(<r²>)^1/2	10.634

All results from a given calculation for C4H4N2 (Pyrazine)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)