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	hartrees
Energy at 0K	-263.787654
Energy at 298.15K	-263.793564
HF Energy	-262.767711
Nuclear repulsion energy	208.676379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3223	3061	0.00
2	A_g	1617	1535	0.00
3	A_g	1255	1192	0.00
4	A_g	1031	979	0.00
5	A_g	598	568	0.00
6	A_u	1002	951	0.00
7	A_u	350	332	0.00
8	B_1g	952	904	0.00
9	B_1u	3203	3042	2.15
10	B_1u	1507	1431	1.75
11	B_1u	1163	1104	3.53
12	B_1u	1035	983	37.38
13	B_2g	993	943	0.00
14	B_2g	776	737	0.00
15	B_2u	3219	3056	44.53
16	B_2u	1449	1376	31.03
17	B_2u	1361	1292	0.13
18	B_2u	1089	1034	11.22
19	B_3g	3202	3040	0.00
20	B_3g	1565	1486	0.00
21	B_3g	1370	1301	0.00
22	B_3g	709	673	0.00
23	B_3u	811	770	29.66
24	B_3u	425	403	23.44

Atom	y (Å)	z (Å)
N1	0.000	1.414
N2	0.000	-1.414
C3	1.130	0.696
C4	-1.130	0.696
C5	-1.130	-0.696
C6	1.130	-0.696
H7	2.061	1.249
H8	-2.061	1.249
H9	-2.061	-1.249
H10	2.061	-1.249

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8274	1.3389	1.3389	2.3937	2.3937	2.0680	2.0680	3.3671	3.3671
N2	2.8274		2.3937	2.3937	1.3389	1.3389	3.3671	3.3671	2.0680	2.0680
C3	1.3389	2.3937		2.2610	2.6554	1.3925	1.0825	3.2394	3.7377	2.1561
C4	1.3389	2.3937	2.2610		1.3925	2.6554	3.2394	1.0825	2.1561	3.7377
C5	2.3937	1.3389	2.6554	1.3925		2.2610	3.7377	2.1561	1.0825	3.2394
C6	2.3937	1.3389	1.3925	2.6554	2.2610		2.1561	3.7377	3.2394	1.0825
H7	2.0680	3.3671	1.0825	3.2394	3.7377	2.1561		4.1229	4.8201	2.4972
H8	2.0680	3.3671	3.2394	1.0825	2.1561	3.7377	4.1229		2.4972	4.8201
H9	3.3671	2.0680	3.7377	2.1561	1.0825	3.2394	4.8201	2.4972		4.1229
H10	3.3671	2.0680	2.1561	3.7377	3.2394	1.0825	2.4972	4.8201	4.1229

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.401	N1	C3	H7	116.918
N1	C4	C5	122.401	N1	C4	H8	116.918
N2	C5	C4	122.401	N2	C5	H9	116.918
N2	C6	C3	122.401	N2	C6	H10	116.918
C3	N1	C4	115.199	C3	C6	H10	120.681
C4	C5	H9	120.681	C5	N2	C6	115.199
C5	C4	H8	120.681	C6	C3	H7	120.681

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)