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	hartrees
Energy at 0K	-44.392869
Energy at 298.15K	-44.398645
HF Energy	-43.612229
Nuclear repulsion energy	104.044007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3230	3067	0.00
2	A_g	1622	1540	0.00
3	A_g	1250	1187	0.00
4	A_g	1013	962	0.00
5	A_g	593	563	0.00
6	A_u	913	866	0.00
7	A_u	340	323	0.00
8	B_1g	942	895	0.00
9	B_1u	3203	3041	4.41
10	B_1u	1488	1413	1.17
11	B_1u	1151	1093	7.98
12	B_1u	1024	972	28.55
13	B_2g	921	874	0.00
14	B_2g	753	715	0.00
15	B_2u	3222	3059	66.34
16	B_2u	1440	1367	43.24
17	B_2u	1351	1283	0.04
18	B_2u	1078	1024	5.55
19	B_3g	3196	3034	0.00
20	B_3g	1542	1464	0.00
21	B_3g	1351	1283	0.00
22	B_3g	692	657	0.00
23	B_3u	801	760	52.56
24	B_3u	420	398	22.32

Atom	y (Å)	z (Å)
N1	0.000	1.447
N2	0.000	-1.447
C3	1.143	0.713
C4	-1.143	0.713
C5	-1.143	-0.713
C6	1.143	-0.713
H7	2.087	1.272
H8	-2.087	1.272
H9	-2.087	-1.272
H10	2.087	-1.272

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8940	1.3581	1.3581	2.4439	2.4439	2.0939	2.0939	3.4276	3.4276
N2	2.8940		2.4439	2.4439	1.3581	1.3581	3.4276	3.4276	2.0939	2.0939
C3	1.3581	2.4439		2.2857	2.6943	1.4265	1.0969	3.2775	3.7910	2.1985
C4	1.3581	2.4439	2.2857		1.4265	2.6943	3.2775	1.0969	2.1985	3.7910
C5	2.4439	1.3581	2.6943	1.4265		2.2857	3.7910	2.1985	1.0969	3.2775
C6	2.4439	1.3581	1.4265	2.6943	2.2857		2.1985	3.7910	3.2775	1.0969
H7	2.0939	3.4276	1.0969	3.2775	3.7910	2.1985		4.1732	4.8878	2.5447
H8	2.0939	3.4276	3.2775	1.0969	2.1985	3.7910	4.1732		2.5447	4.8878
H9	3.4276	2.0939	3.7910	2.1985	1.0969	3.2775	4.8878	2.5447		4.1732
H10	3.4276	2.0939	2.1985	3.7910	3.2775	1.0969	2.5447	4.8878	4.1732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.701	N1	C3	H7	116.655
N1	C4	C5	122.701	N1	C4	H8	116.655
N2	C5	C4	122.701	N2	C5	H9	116.655
N2	C6	C3	122.701	N2	C6	H10	116.655
C3	N1	C4	114.598	C3	C6	H10	120.644
C4	C5	H9	120.644	C5	N2	C6	114.598
C5	C4	H8	120.644	C6	C3	H7	120.644

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: MP2/CEP-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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All results from a given calculation for C4H4N2 (Pyrazine)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)