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	hartrees
Energy at 0K	-263.129621
Energy at 298.15K	-263.135420
HF Energy	-262.547805
Nuclear repulsion energy	204.758385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3240	3079	0.00
2	A_g	1568	1489	0.00
3	A_g	1268	1205	0.00
4	A_g	991	941	0.00
5	A_g	616	585	0.00
6	A_u	942	895	0.00
7	A_u	337	321	0.00
8	B_1g	929	882	0.00
9	B_1u	3218	3057	9.03
10	B_1u	1495	1420	13.28
11	B_1u	1147	1090	0.00
12	B_1u	1003	953	26.25
13	B_2g	932	886	0.00
14	B_2g	735	699	0.00
15	B_2u	3232	3071	47.63
16	B_2u	1438	1366	29.60
17	B_2u	1217	1156	7.26
18	B_2u	1082	1028	9.72
19	B_3g	3214	3053	0.00
20	B_3g	1497	1422	0.00
21	B_3g	1383	1314	0.00
22	B_3g	712	677	0.00
23	B_3u	788	748	33.60
24	B_3u	425	404	29.40

Atom	y (Å)	z (Å)
N1	0.000	1.431
N2	0.000	-1.431
C3	1.164	0.704
C4	-1.164	0.704
C5	-1.164	-0.704
C6	1.164	-0.704
H7	2.090	1.275
H8	-2.090	1.275
H9	-2.090	-1.275
H10	2.090	-1.275

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8618	1.3728	1.3728	2.4317	2.4317	2.0961	2.0961	3.4192	3.4192
N2	2.8618		2.4317	2.4317	1.3728	1.3728	3.4192	3.4192	2.0961	2.0961
C3	1.3728	2.4317		2.3289	2.7213	1.4078	1.0878	3.3044	3.8091	2.1848
C4	1.3728	2.4317	2.3289		1.4078	2.7213	3.3044	1.0878	2.1848	3.8091
C5	2.4317	1.3728	2.7213	1.4078		2.3289	3.8091	2.1848	1.0878	3.3044
C6	2.4317	1.3728	1.4078	2.7213	2.3289		2.1848	3.8091	3.3044	1.0878
H7	2.0961	3.4192	1.0878	3.3044	3.8091	2.1848		4.1805	4.8969	2.5501
H8	2.0961	3.4192	3.3044	1.0878	2.1848	3.8091	4.1805		2.5501	4.8969
H9	3.4192	2.0961	3.8091	2.1848	1.0878	3.3044	4.8969	2.5501		4.1805
H10	3.4192	2.0961	2.1848	3.8091	3.3044	1.0878	2.5501	4.8969	4.1805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	121.978	N1	C3	H7	116.352
N1	C4	C5	121.978	N1	C4	H8	116.352
N2	C5	C4	121.978	N2	C5	H9	116.352
N2	C6	C3	121.978	N2	C6	H10	116.352
C3	N1	C4	116.044	C3	C6	H10	121.670
C4	C5	H9	121.670	C5	N2	C6	116.044
C5	C4	H8	121.670	C6	C3	H7	121.670

All results from a given calculation for C₄H₄N₂ (Pyrazine)

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

using model chemistry: MP2=FULL/6-31G

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)