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	hartrees
Energy at 0K	-263.530423
Energy at 298.15K	-263.536283
HF Energy	-262.679599
Nuclear repulsion energy	208.098874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3245	3058	0.00
2	A_g	1643	1548	0.00
3	A_g	1282	1208	0.00
4	A_g	1044	983	0.00
5	A_g	606	571	0.00
6	A_u	968	912	0.00
7	A_u	345	325	0.00
8	B_1g	948	894	0.00
9	B_1u	3227	3040	5.59
10	B_1u	1534	1445	4.03
11	B_1u	1178	1110	3.15
12	B_1u	1042	982	38.10
13	B_2g	956	901	0.00
14	B_2g	754	711	0.00
15	B_2u	3241	3053	48.93
16	B_2u	1473	1388	33.82
17	B_2u	1368	1289	0.10
18	B_2u	1114	1050	12.01
19	B_3g	3226	3040	0.00
20	B_3g	1592	1500	0.00
21	B_3g	1398	1317	0.00
22	B_3g	719	678	0.00
23	B_3u	805	759	26.80
24	B_3u	427	402	24.46

Atom	y (Å)	z (Å)
N1	0.000	1.415
N2	0.000	-1.415
C3	1.135	0.697
C4	-1.135	0.697
C5	-1.135	-0.697
C6	1.135	-0.697
H7	2.067	1.257
H8	-2.067	1.257
H9	-2.067	-1.257
H10	2.067	-1.257

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8309	1.3432	1.3432	2.3981	2.3981	2.0735	2.0735	3.3787	3.3787
N2	2.8309		2.3981	2.3981	1.3432	1.3432	3.3787	3.3787	2.0735	2.0735
C3	1.3432	2.3981		2.2698	2.6638	1.3941	1.0877	3.2509	3.7514	2.1651
C4	1.3432	2.3981	2.2698		1.3941	2.6638	3.2509	1.0877	2.1651	3.7514
C5	2.3981	1.3432	2.6638	1.3941		2.2698	3.7514	2.1651	1.0877	3.2509
C6	2.3981	1.3432	1.3941	2.6638	2.2698		2.1651	3.7514	3.2509	1.0877
H7	2.0735	3.3787	1.0877	3.2509	3.7514	2.1651		4.1349	4.8391	2.5139
H8	2.0735	3.3787	3.2509	1.0877	2.1651	3.7514	4.1349		2.5139	4.8391
H9	3.3787	2.0735	3.7514	2.1651	1.0877	3.2509	4.8391	2.5139		4.1349
H10	3.3787	2.0735	2.1651	3.7514	3.2509	1.0877	2.5139	4.8391	4.1349

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.333	N1	C3	H7	116.688
N1	C4	C5	122.333	N1	C4	H8	116.688
N2	C5	C4	122.333	N2	C5	H9	116.688
N2	C6	C3	122.333	N2	C6	H10	116.688
C3	N1	C4	115.335	C3	C6	H10	120.980
C4	C5	H9	120.980	C5	N2	C6	115.335
C5	C4	H8	120.980	C6	C3	H7	120.980

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)