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	hartrees
Energy at 0K	-263.703675
Energy at 298.15K	-263.709527
HF Energy	-262.729495
Nuclear repulsion energy	208.118858

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3226	3055	0.00
2	A_g	1626	1540	0.00
3	A_g	1265	1198	0.00
4	A_g	1033	979	0.00
5	A_g	602	570	0.00
6	A_u	954	904	0.00
7	A_u	340	322	0.00
8	B_1g	938	888	0.00
9	B_1u	3207	3037	3.97
10	B_1u	1515	1435	3.08
11	B_1u	1168	1106	5.24
12	B_1u	1040	985	37.63
13	B_2g	957	906	0.00
14	B_2g	760	720	0.00
15	B_2u	3221	3051	54.67
16	B_2u	1454	1377	35.47
17	B_2u	1351	1280	0.02
18	B_2u	1095	1037	9.09
19	B_3g	3206	3037	0.00
20	B_3g	1573	1489	0.00
21	B_3g	1378	1305	0.00
22	B_3g	715	677	0.00
23	B_3u	796	754	38.52
24	B_3u	420	398	22.79

Atom	y (Å)	z (Å)
N1	0.000	1.419
N2	0.000	-1.419
C3	1.132	0.698
C4	-1.132	0.698
C5	-1.132	-0.698
C6	1.132	-0.698
H7	2.065	1.257
H8	-2.065	1.257
H9	-2.065	-1.257
H10	2.065	-1.257

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8370	1.3419	1.3419	2.4007	2.4007	2.0714	2.0714	3.3798	3.3798
N2	2.8370		2.4007	2.4007	1.3419	1.3419	3.3798	3.3798	2.0714	2.0714
C3	1.3419	2.4007		2.2647	2.6608	1.3968	1.0873	3.2458	3.7480	2.1666
C4	1.3419	2.4007	2.2647		1.3968	2.6608	3.2458	1.0873	2.1666	3.7480
C5	2.4007	1.3419	2.6608	1.3968		2.2647	3.7480	2.1666	1.0873	3.2458
C6	2.4007	1.3419	1.3968	2.6608	2.2647		2.1666	3.7480	3.2458	1.0873
H7	2.0714	3.3798	1.0873	3.2458	3.7480	2.1666		4.1301	4.8352	2.5142
H8	2.0714	3.3798	3.2458	1.0873	2.1666	3.7480	4.1301		2.5142	4.8352
H9	3.3798	2.0714	3.7480	2.1666	1.0873	3.2458	4.8352	2.5142		4.1301
H10	3.3798	2.0714	2.1666	3.7480	3.2458	1.0873	2.5142	4.8352	4.1301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.454	N1	C3	H7	116.627
N1	C4	C5	122.454	N1	C4	H8	116.627
N2	C5	C4	122.454	N2	C5	H9	116.627
N2	C6	C3	122.454	N2	C6	H10	116.627
C3	N1	C4	115.092	C3	C6	H10	120.919
C4	C5	H9	120.919	C5	N2	C6	115.092
C5	C4	H8	120.919	C6	C3	H7	120.919

All results from a given calculation for C₄H₄N₂ (Pyrazine)

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

using model chemistry: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)