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	hartrees
Energy at 0K	-263.551973
Energy at 298.15K	-263.557896
HF Energy	-262.687687
Nuclear repulsion energy	208.565154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3277	3073	0.00
2	A_g	1693	1587	0.00
3	A_g	1290	1209	0.00
4	A_g	1064	998	0.00
5	A_g	614	576	0.00
6	A_u	992	930	0.00
7	A_u	364	342	0.00
8	B_1g	960	900	0.00
9	B_1u	3256	3053	7.75
10	B_1u	1566	1469	1.84
11	B_1u	1192	1117	3.67
12	B_1u	1057	991	35.37
13	B_2g	974	913	0.00
14	B_2g	752	705	0.00
15	B_2u	3272	3067	58.11
16	B_2u	1484	1391	33.89
17	B_2u	1180	1107	12.50
18	B_2u	1124	1054	16.91
19	B_3g	3255	3052	0.00
20	B_3g	1637	1535	0.00
21	B_3g	1409	1321	0.00
22	B_3g	726	681	0.00
23	B_3u	818	767	22.25
24	B_3u	433	406	23.59

Atom	y (Å)	z (Å)
N1	0.000	1.413
N2	0.000	-1.413
C3	1.132	0.698
C4	-1.132	0.698
C5	-1.132	-0.698
C6	1.132	-0.698
H7	2.062	1.251
H8	-2.062	1.251
H9	-2.062	-1.251
H10	2.062	-1.251

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8259	1.3388	1.3388	2.3947	2.3947	2.0685	2.0685	3.3686	3.3686
N2	2.8259		2.3947	2.3947	1.3388	1.3388	3.3686	3.3686	2.0685	2.0685
C3	1.3388	2.3947		2.2633	2.6588	1.3951	1.0825	3.2414	3.7412	2.1591
C4	1.3388	2.3947	2.2633		1.3951	2.6588	3.2414	1.0825	2.1591	3.7412
C5	2.3947	1.3388	2.6588	1.3951		2.2633	3.7412	2.1591	1.0825	3.2414
C6	2.3947	1.3388	1.3951	2.6588	2.2633		2.1591	3.7412	3.2414	1.0825
H7	2.0685	3.3686	1.0825	3.2414	3.7412	2.1591		4.1243	4.8236	2.5015
H8	2.0685	3.3686	3.2414	1.0825	2.1591	3.7412	4.1243		2.5015	4.8236
H9	3.3686	2.0685	3.7412	2.1591	1.0825	3.2414	4.8236	2.5015		4.1243
H10	3.3686	2.0685	2.1591	3.7412	3.2414	1.0825	2.5015	4.8236	4.1243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.299	N1	C3	H7	116.968
N1	C4	C5	122.299	N1	C4	H8	116.968
N2	C5	C4	122.299	N2	C5	H9	116.968
N2	C6	C3	122.299	N2	C6	H10	116.968
C3	N1	C4	115.401	C3	C6	H10	120.733
C4	C5	H9	120.733	C5	N2	C6	115.401
C5	C4	H8	120.733	C6	C3	H7	120.733

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: CCD/6-31G**

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: CCD/6-31G**

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)