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	hartrees
Energy at 0K	-261.690159
Energy at 298.15K	-261.696252
Nuclear repulsion energy	207.799199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3306	3112	0.00
2	A_g	1637	1541	0.00
3	A_g	1313	1236	0.00
4	A_g	1056	994	0.00
5	A_g	650	612	0.00
6	A_u	1084	1021	0.00
7	A_u	393	370	0.00
8	B_1g	1014	954	0.00
9	B_1u	3279	3086	11.16
10	B_1u	1567	1475	16.57
11	B_1u	1199	1129	0.41
12	B_1u	1057	995	35.70
13	B_2g	1072	1009	0.00
14	B_2g	826	777	0.00
15	B_2u	3295	3102	39.82
16	B_2u	1493	1406	29.50
17	B_2u	1134	1068	19.24
18	B_2u	1047	985	2.23
19	B_3g	3275	3082	0.00
20	B_3g	1573	1480	0.00
21	B_3g	1445	1360	0.00
22	B_3g	756	711	0.00
23	B_3u	862	812	36.47
24	B_3u	471	443	26.91

Atom	y (Å)	z (Å)
N1	0.000	1.401
N2	0.000	-1.401
C3	1.150	0.696
C4	-1.150	0.696
C5	-1.150	-0.696
C6	1.150	-0.696
H7	2.073	1.254
H8	-2.073	1.254
H9	-2.073	-1.254
H10	2.073	-1.254

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8024	1.3489	1.3489	2.3914	2.3914	2.0783	2.0783	3.3684	3.3684
N2	2.8024		2.3914	2.3914	1.3489	1.3489	3.3684	3.3684	2.0783	2.0783
C3	1.3489	2.3914		2.2995	2.6877	1.3915	1.0788	3.2708	3.7666	2.1571
C4	1.3489	2.3914	2.2995		1.3915	2.6877	3.2708	1.0788	2.1571	3.7666
C5	2.3914	1.3489	2.6877	1.3915		2.2995	3.7666	2.1571	1.0788	3.2708
C6	2.3914	1.3489	1.3915	2.6877	2.2995		2.1571	3.7666	3.2708	1.0788
H7	2.0783	3.3684	1.0788	3.2708	3.7666	2.1571		4.1461	4.8454	2.5075
H8	2.0783	3.3684	3.2708	1.0788	2.1571	3.7666	4.1461		2.5075	4.8454
H9	3.3684	2.0783	3.7666	2.1571	1.0788	3.2708	4.8454	2.5075		4.1461
H10	3.3684	2.0783	2.1571	3.7666	3.2708	1.0788	2.5075	4.8454	4.1461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	121.532	N1	C3	H7	117.322
N1	C4	C5	121.532	N1	C4	H8	117.322
N2	C5	C4	121.532	N2	C5	H9	117.322
N2	C6	C3	121.532	N2	C6	H10	117.322
C3	N1	C4	116.937	C3	C6	H10	121.147
C4	C5	H9	121.147	C5	N2	C6	116.937
C5	C4	H8	121.147	C6	C3	H7	121.147

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: CISD/3-21G

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: CISD/3-21G

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)