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	hartrees
Energy at 0K	-44.053250
Energy at 298.15K	-44.058846
HF Energy	-43.486359
Nuclear repulsion energy	102.789100

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3182	3106	0.00
2	A_g	1524	1487	0.00
3	A_g	1231	1201	0.00
4	A_g	946	923	0.00
5	A_g	596	582	0.00
6	A_u	709	692	0.00
7	A_u	302	294	0.00
8	B_1g	887	866	0.00
9	B_1u	3159	3083	6.19
10	B_1u	1454	1420	9.36
11	B_1u	1117	1090	0.61
12	B_1u	979	956	22.70
13	B_2g	833	813	0.00
14	B_2g	708	691	0.00
15	B_2u	3175	3099	66.27
16	B_2u	1397	1363	34.13
17	B_2u	1179	1151	11.32
18	B_2u	1043	1018	7.17
19	B_3g	3156	3080	0.00
20	B_3g	1463	1428	0.00
21	B_3g	1353	1320	0.00
22	B_3g	688	672	0.00
23	B_3u	759	741	46.93
24	B_3u	413	403	27.45

Atom	y (Å)	z (Å)
N1	0.000	1.453
N2	0.000	-1.453
C3	1.174	0.714
C4	-1.174	0.714
C5	-1.174	-0.714
C6	1.174	-0.714
H7	2.102	1.287
H8	-2.102	1.287
H9	-2.102	-1.287
H10	2.102	-1.287

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.9064	1.3869	1.3869	2.4649	2.4649	2.1089	2.1089	3.4538	3.4538
N2	2.9064		2.4649	2.4649	1.3869	1.3869	3.4538	3.4538	2.1089	2.1089
C3	1.3869	2.4649		2.3473	2.7480	1.4287	1.0911	3.3257	3.8390	2.2064
C4	1.3869	2.4649	2.3473		1.4287	2.7480	3.3257	1.0911	2.2064	3.8390
C5	2.4649	1.3869	2.7480	1.4287		2.3473	3.8390	2.2064	1.0911	3.3257
C6	2.4649	1.3869	1.4287	2.7480	2.3473		2.2064	3.8390	3.3257	1.0911
H7	2.1089	3.4538	1.0911	3.3257	3.8390	2.2064		4.2047	4.9301	2.5741
H8	2.1089	3.4538	3.3257	1.0911	2.2064	3.8390	4.2047		2.5741	4.9301
H9	3.4538	2.1089	3.8390	2.2064	1.0911	3.3257	4.9301	2.5741		4.2047
H10	3.4538	2.1089	2.2064	3.8390	3.3257	1.0911	2.5741	4.9301	4.2047

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.192	N1	C3	H7	116.146
N1	C4	C5	122.192	N1	C4	H8	116.146
N2	C5	C4	122.192	N2	C5	H9	116.146
N2	C6	C3	122.192	N2	C6	H10	116.146
C3	N1	C4	115.617	C3	C6	H10	121.662
C4	C5	H9	121.662	C5	N2	C6	115.617
C5	C4	H8	121.662	C6	C3	H7	121.662

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: MP2/CEP-121G

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-121G

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)