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	hartrees
Energy at 0K	-263.678087
Energy at 298.15K	-263.683979
HF Energy	-262.704342
Nuclear repulsion energy	208.477595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3240	3061	0.00
2	A_g	1616	1526	0.00
3	A_g	1264	1194	0.00
4	A_g	1033	976	0.00
5	A_g	596	563	0.00
6	A_u	1003	947	0.00
7	A_u	347	328	0.00
8	B_1g	958	905	0.00
9	B_1u	3221	3042	2.06
10	B_1u	1509	1425	2.74
11	B_1u	1166	1101	2.63
12	B_1u	1030	973	40.66
13	B_2g	992	937	0.00
14	B_2g	771	728	0.00
15	B_2u	3236	3056	35.69
16	B_2u	1449	1368	33.44
17	B_2u	1374	1297	0.10
18	B_2u	1092	1032	11.16
19	B_3g	3221	3042	0.00
20	B_3g	1567	1480	0.00
21	B_3g	1377	1301	0.00
22	B_3g	708	669	0.00
23	B_3u	816	771	20.56
24	B_3u	426	403	22.77

Atom	y (Å)	z (Å)
N1	0.000	1.415
N2	0.000	-1.415
C3	1.131	0.697
C4	-1.131	0.697
C5	-1.131	-0.697
C6	1.131	-0.697
H7	2.063	1.252
H8	-2.063	1.252
H9	-2.063	-1.252
H10	2.063	-1.252

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8309	1.3402	1.3402	2.3959	2.3959	2.0698	2.0698	3.3724	3.3724
N2	2.8309		2.3959	2.3959	1.3402	1.3402	3.3724	3.3724	2.0698	2.0698
C3	1.3402	2.3959		2.2621	2.6568	1.3933	1.0852	3.2423	3.7419	2.1602
C4	1.3402	2.3959	2.2621		1.3933	2.6568	3.2423	1.0852	2.1602	3.7419
C5	2.3959	1.3402	2.6568	1.3933		2.2621	3.7419	2.1602	1.0852	3.2423
C6	2.3959	1.3402	1.3933	2.6568	2.2621		2.1602	3.7419	3.2423	1.0852
H7	2.0698	3.3724	1.0852	3.2423	3.7419	2.1602		4.1266	4.8270	2.5042
H8	2.0698	3.3724	3.2423	1.0852	2.1602	3.7419	4.1266		2.5042	4.8270
H9	3.3724	2.0698	3.7419	2.1602	1.0852	3.2423	4.8270	2.5042		4.1266
H10	3.3724	2.0698	2.1602	3.7419	3.2423	1.0852	2.5042	4.8270	4.1266

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.438	N1	C3	H7	116.774
N1	C4	C5	122.438	N1	C4	H8	116.774
N2	C5	C4	122.438	N2	C5	H9	116.774
N2	C6	C3	122.438	N2	C6	H10	116.774
C3	N1	C4	115.125	C3	C6	H10	120.788
C4	C5	H9	120.788	C5	N2	C6	115.125
C5	C4	H8	120.788	C6	C3	H7	120.788

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)